GNN_comb_data.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Preparing TWOSIDES for GNN\n",
    "1. First we select only the TWOSIDES PSEs that are in SIDERs for the GNN\n",
    "2. Then We split TWOSIDES into drugs that are available in SIDER"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "import pandas as pd\n",
    "import networkx as nx\n",
    "import matplotlib.pyplot as plt\n",
    "from tqdm.notebook import tqdm"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
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       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Drug1</th>\n",
       "      <th>Drug2</th>\n",
       "      <th>PSE</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>Temazepam</td>\n",
       "      <td>sildenafil</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>Bumetanide</td>\n",
       "      <td>Oxytocin</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>POLYETHYLENE GLYCOL 3350</td>\n",
       "      <td>Hydroxychloroquine</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>Tamoxifen</td>\n",
       "      <td>Prednisone</td>\n",
       "      <td>Diarrhoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Temazepam</td>\n",
       "      <td>sildenafil</td>\n",
       "      <td>Diarrhoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42920386</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Activities of daily living impaired</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42920387</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Impaired work ability</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42920388</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Off label use</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42920389</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Hypertension</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>42920390</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Toxicity to various agents</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>42920391 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                             Drug1               Drug2  \\\n",
       "0                        Temazepam          sildenafil   \n",
       "1                       Bumetanide            Oxytocin   \n",
       "2         POLYETHYLENE GLYCOL 3350  Hydroxychloroquine   \n",
       "3                        Tamoxifen          Prednisone   \n",
       "4                        Temazepam          sildenafil   \n",
       "...                            ...                 ...   \n",
       "42920386                Ketoprofen         montelukast   \n",
       "42920387                Ketoprofen         montelukast   \n",
       "42920388                Ketoprofen         montelukast   \n",
       "42920389                Ketoprofen         montelukast   \n",
       "42920390                Ketoprofen         montelukast   \n",
       "\n",
       "                                          PSE  \n",
       "0                                  Arthralgia  \n",
       "1                                  Arthralgia  \n",
       "2                                  Arthralgia  \n",
       "3                                   Diarrhoea  \n",
       "4                                   Diarrhoea  \n",
       "...                                       ...  \n",
       "42920386  Activities of daily living impaired  \n",
       "42920387                Impaired work ability  \n",
       "42920388                        Off label use  \n",
       "42920389                         Hypertension  \n",
       "42920390           Toxicity to various agents  \n",
       "\n",
       "[42920391 rows x 3 columns]"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ts = pd.read_csv('../data/TWOSIDES-short.csv', sep=',')\n",
    "sider = pd.read_csv('../data/se_all.csv', sep=',')\n",
    "ts"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
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       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>DrugID</th>\n",
       "      <th>SEID</th>\n",
       "      <th>SE name</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>CID100000085</td>\n",
       "      <td>C0000729</td>\n",
       "      <td>Abdominal cramps</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>CID100000085</td>\n",
       "      <td>C0000737</td>\n",
       "      <td>Abdominal pain</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>CID100000085</td>\n",
       "      <td>C0151736</td>\n",
       "      <td>Accidental injury</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>CID100000085</td>\n",
       "      <td>C0002418</td>\n",
       "      <td>Amblyopia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>CID100000085</td>\n",
       "      <td>C0002871</td>\n",
       "      <td>Anaemia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>138894</th>\n",
       "      <td>CID171306834</td>\n",
       "      <td>C0042963</td>\n",
       "      <td>Vomiting</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>138895</th>\n",
       "      <td>CID171306834</td>\n",
       "      <td>C3665596</td>\n",
       "      <td>Warts</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>138896</th>\n",
       "      <td>CID171306834</td>\n",
       "      <td>C0043096</td>\n",
       "      <td>Weight decreased</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>138897</th>\n",
       "      <td>CID171306834</td>\n",
       "      <td>C0043094</td>\n",
       "      <td>Weight increased</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>138898</th>\n",
       "      <td>CID171306834</td>\n",
       "      <td>C0043144</td>\n",
       "      <td>Wheezing</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>138899 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "              DrugID      SEID            SE name\n",
       "0       CID100000085  C0000729   Abdominal cramps\n",
       "1       CID100000085  C0000737     Abdominal pain\n",
       "2       CID100000085  C0151736  Accidental injury\n",
       "3       CID100000085  C0002418          Amblyopia\n",
       "4       CID100000085  C0002871            Anaemia\n",
       "...              ...       ...                ...\n",
       "138894  CID171306834  C0042963           Vomiting\n",
       "138895  CID171306834  C3665596              Warts\n",
       "138896  CID171306834  C0043096   Weight decreased\n",
       "138897  CID171306834  C0043094   Weight increased\n",
       "138898  CID171306834  C0043144           Wheezing\n",
       "\n",
       "[138899 rows x 3 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "sider"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "SIDERS: 5805 , TWOSIDES: 12726\n"
     ]
    }
   ],
   "source": [
    "SEs = sider['SE name'].unique().tolist()\n",
    "PSEs = ts['PSE'].unique().tolist()\n",
    "print('SIDERS:',len(SEs),', TWOSIDES:',len(PSEs))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "#### We will select side efects that are present in all ADR, PSE and SIDERS for the final model."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Only 4029 side effect out of 12726 will be used at the model.\n"
     ]
    }
   ],
   "source": [
    "# Makes lower case list of SE names\n",
    "SEs_lower = []\n",
    "PSEs_lower = [] \n",
    "for SE in SEs: SEs_lower.append(SE.lower())\n",
    "for SE in PSEs: PSEs_lower.append(SE.lower())\n",
    "    \n",
    "SE_final = []  # Candicate PSEs for GNN  \n",
    "tmp = []\n",
    "\n",
    "for index, SE in enumerate(PSEs_lower):\n",
    "    if SE in SEs_lower:\n",
    "        SE_final.append(PSEs[index])\n",
    "    else:\n",
    "        tmp.append(PSEs[index])\n",
    "print('Only',len(SE_final),'side effect out of',len(PSEs), 'will be used at the model.')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['Arthralgia',\n",
       " 'Diarrhoea',\n",
       " 'Headache',\n",
       " 'Vomiting',\n",
       " 'Dyspepsia',\n",
       " 'Renal impairment',\n",
       " 'Drug hypersensitivity',\n",
       " 'Cough',\n",
       " 'Throat irritation',\n",
       " 'Rhinorrhoea',\n",
       " 'Malaise',\n",
       " 'Hepatic enzyme increased',\n",
       " 'Back pain',\n",
       " 'Fluid retention',\n",
       " 'Oedema peripheral',\n",
       " 'Oedema',\n",
       " 'Death',\n",
       " 'Cerebrovascular accident',\n",
       " 'Pain',\n",
       " 'Wound',\n",
       " 'Fatigue',\n",
       " 'Gastrooesophageal reflux disease',\n",
       " 'Sinusitis',\n",
       " 'Urinary tract infection',\n",
       " 'Fall',\n",
       " 'Ocular icterus',\n",
       " 'Bone pain',\n",
       " 'Nausea',\n",
       " 'Paraesthesia',\n",
       " 'General physical health deterioration',\n",
       " 'Abdominal pain',\n",
       " 'Anxiety',\n",
       " 'Emotional distress',\n",
       " 'Injury',\n",
       " 'Memory impairment',\n",
       " 'Rash',\n",
       " 'Alanine aminotransferase increased',\n",
       " 'Drug eruption',\n",
       " 'Chest pain',\n",
       " 'Contusion',\n",
       " 'Dyspnoea',\n",
       " 'Stress',\n",
       " 'Asthenia',\n",
       " 'Depression',\n",
       " 'Dysgeusia',\n",
       " 'Weight decreased',\n",
       " 'Pruritus',\n",
       " 'Feeling abnormal',\n",
       " 'Muscle spasms',\n",
       " 'Nightmare',\n",
       " 'Convulsion',\n",
       " 'Hyperhidrosis',\n",
       " 'Disturbance in attention',\n",
       " 'Urinary retention',\n",
       " 'Dizziness',\n",
       " 'Haemoglobin decreased',\n",
       " 'White blood cell count decreased',\n",
       " 'Burning sensation',\n",
       " 'Flushing',\n",
       " 'Anhedonia',\n",
       " 'Gastrointestinal haemorrhage',\n",
       " 'Atrial septal defect',\n",
       " 'Abasia',\n",
       " 'Depressed mood',\n",
       " 'Drug ineffective',\n",
       " 'Deep vein thrombosis',\n",
       " 'Dehydration',\n",
       " 'Hip fracture',\n",
       " 'Injection site pain',\n",
       " 'Insomnia',\n",
       " 'Intestinal obstruction',\n",
       " 'Musculoskeletal pain',\n",
       " 'Nasal congestion',\n",
       " 'Neck pain',\n",
       " 'Rotator cuff syndrome',\n",
       " 'Spinal fracture',\n",
       " 'Rash macular',\n",
       " 'Erythema',\n",
       " 'Irritability',\n",
       " 'Leukopenia',\n",
       " 'Injection site pruritus',\n",
       " 'Anaemia',\n",
       " 'Suicidal ideation',\n",
       " 'Thrombocytopenia',\n",
       " 'Drug intolerance',\n",
       " 'Gastritis',\n",
       " 'Herpes zoster',\n",
       " 'Hypertension',\n",
       " 'Osteoarthritis',\n",
       " 'Osteopenia',\n",
       " 'Rib fracture',\n",
       " 'Anger',\n",
       " 'Ear infection',\n",
       " 'Rheumatoid arthritis',\n",
       " 'Arthritis',\n",
       " 'Diabetes mellitus',\n",
       " 'Abdominal discomfort',\n",
       " 'Nasopharyngitis',\n",
       " 'Pain in extremity',\n",
       " 'Aggression',\n",
       " 'Emotional disorder',\n",
       " 'Gynaecomastia',\n",
       " 'Migraine',\n",
       " 'Obesity',\n",
       " 'Tardive dyskinesia',\n",
       " 'Abdominal pain upper',\n",
       " 'Menstruation irregular',\n",
       " 'Gastric ulcer',\n",
       " 'Multi-organ failure',\n",
       " 'Subdural haematoma',\n",
       " 'Upper gastrointestinal haemorrhage',\n",
       " 'Disorientation',\n",
       " 'Loss of consciousness',\n",
       " 'Somnolence',\n",
       " 'Road traffic accident',\n",
       " 'Confusional state',\n",
       " 'Alopecia',\n",
       " 'Encephalitis',\n",
       " 'Heart rate irregular',\n",
       " 'Platelet count decreased',\n",
       " 'White blood cell count increased',\n",
       " 'Tremor',\n",
       " 'Aphagia',\n",
       " 'Infection',\n",
       " 'Neutropenia',\n",
       " 'Haematochezia',\n",
       " 'Rectal haemorrhage',\n",
       " 'Vision blurred',\n",
       " 'Visual acuity reduced',\n",
       " 'Inflammation',\n",
       " 'Hypoaesthesia',\n",
       " 'Mobility decreased',\n",
       " 'Myalgia',\n",
       " 'Conjunctivitis',\n",
       " 'Chest discomfort',\n",
       " 'Viral infection',\n",
       " 'Musculoskeletal stiffness',\n",
       " 'Pneumonia',\n",
       " 'Infusion related reaction',\n",
       " 'Condition aggravated',\n",
       " 'Disease progression',\n",
       " 'Ascites',\n",
       " 'Cardiac failure',\n",
       " 'Renal failure',\n",
       " 'Atrial fibrillation',\n",
       " 'Device dislocation',\n",
       " 'Scar',\n",
       " 'Blood glucose increased',\n",
       " 'Hepatic failure',\n",
       " 'Joint swelling',\n",
       " 'Asthma',\n",
       " 'Cold sweat',\n",
       " 'Amnesia',\n",
       " 'Diplopia',\n",
       " 'Hypothyroidism',\n",
       " 'Angina pectoris',\n",
       " 'Pancytopenia',\n",
       " 'Wheezing',\n",
       " 'Haemorrhagic stroke',\n",
       " 'Lung infiltration',\n",
       " 'Osteonecrosis of jaw',\n",
       " 'Poor quality sleep',\n",
       " 'Blepharitis',\n",
       " 'Cataract',\n",
       " 'Cerebral haemorrhage',\n",
       " 'Decreased appetite',\n",
       " 'Dry mouth',\n",
       " 'Dyspnoea exertional',\n",
       " 'Ear pain',\n",
       " 'Eczema',\n",
       " 'Hyperglycaemia',\n",
       " 'Hypokalaemia',\n",
       " 'Oral pain',\n",
       " 'Pain in jaw',\n",
       " 'Pollakiuria',\n",
       " 'Sensitivity of teeth',\n",
       " 'Shock',\n",
       " 'Skin discolouration',\n",
       " 'Snoring',\n",
       " 'Speech disorder',\n",
       " 'Throat tightness',\n",
       " 'Urinary incontinence',\n",
       " 'Urticaria',\n",
       " 'Vitreous detachment',\n",
       " 'Muscular weakness',\n",
       " 'Ulcer',\n",
       " 'Diverticulum',\n",
       " 'Hypoglycaemia',\n",
       " 'Gastric disorder',\n",
       " 'Hypercholesterolaemia',\n",
       " 'Metastases to peritoneum',\n",
       " 'Nephrolithiasis',\n",
       " 'Osteoporosis',\n",
       " 'Pancreatitis',\n",
       " 'Nervous system disorder',\n",
       " 'Chills',\n",
       " 'Gait disturbance',\n",
       " 'Influenza like illness',\n",
       " 'Myopia',\n",
       " 'Toothache',\n",
       " 'Depressed level of consciousness',\n",
       " 'Staphylococcal infection',\n",
       " 'Tinnitus',\n",
       " 'Pericardial effusion',\n",
       " 'Drug abuse',\n",
       " 'Hypoxia',\n",
       " 'Renal failure acute',\n",
       " 'Rhabdomyolysis',\n",
       " 'Stomatitis',\n",
       " 'Pulmonary oedema',\n",
       " 'Glaucoma',\n",
       " 'Aphasia',\n",
       " 'Balance disorder',\n",
       " 'Pulmonary congestion',\n",
       " 'Feeling hot',\n",
       " 'Bundle branch block left',\n",
       " 'Chronic obstructive pulmonary disease',\n",
       " 'Hyperkalaemia',\n",
       " 'Syncope',\n",
       " 'Upper respiratory tract infection',\n",
       " 'Bruxism',\n",
       " 'Dental caries',\n",
       " 'Diverticulitis',\n",
       " 'Drug effect decreased',\n",
       " 'Gastrointestinal disorder',\n",
       " 'Hiatus hernia',\n",
       " 'Injection site reaction',\n",
       " 'Mouth ulceration',\n",
       " 'Respiratory tract infection',\n",
       " 'Influenza',\n",
       " 'Neuralgia',\n",
       " 'Neuropathy peripheral',\n",
       " 'Osteomyelitis',\n",
       " 'Tooth fracture',\n",
       " 'Sleep disorder',\n",
       " 'Drug interaction',\n",
       " 'Hepatic cirrhosis',\n",
       " 'Fibromyalgia',\n",
       " 'Lethargy',\n",
       " 'Blood pressure increased',\n",
       " 'Constipation',\n",
       " 'Feeling cold',\n",
       " 'Glossodynia',\n",
       " 'Mental disorder',\n",
       " 'Weight increased',\n",
       " 'Blood potassium decreased',\n",
       " 'Cellulitis',\n",
       " 'Exostosis',\n",
       " 'Oral infection',\n",
       " 'Tooth abscess',\n",
       " 'Intervertebral disc protrusion',\n",
       " 'Swelling',\n",
       " 'Sepsis',\n",
       " 'Proteinuria',\n",
       " 'Oropharyngeal pain',\n",
       " 'Dysphagia',\n",
       " 'Ecchymosis',\n",
       " 'Eyelid oedema',\n",
       " 'Productive cough',\n",
       " 'Bone disorder',\n",
       " 'Panic attack',\n",
       " 'Epistaxis',\n",
       " 'Local swelling',\n",
       " 'Pharyngeal oedema',\n",
       " 'Swelling face',\n",
       " 'Swollen tongue',\n",
       " 'Thrombosis',\n",
       " 'Respiratory failure',\n",
       " 'Suicide attempt',\n",
       " 'Septic shock',\n",
       " 'Pancreatitis acute',\n",
       " 'Presyncope',\n",
       " 'Respiratory distress',\n",
       " 'Pulmonary embolism',\n",
       " 'Mania',\n",
       " 'Palpitations',\n",
       " 'Injection site erythema',\n",
       " 'Cardiac disorder',\n",
       " 'Dyskinesia',\n",
       " 'Nervousness',\n",
       " 'Compression fracture',\n",
       " 'Pleural effusion',\n",
       " 'Dysstasia',\n",
       " 'Blood creatinine increased',\n",
       " 'Cardio-respiratory arrest',\n",
       " 'Mental status changes',\n",
       " 'Generalised erythema',\n",
       " 'Eye disorder',\n",
       " 'Ocular hyperaemia',\n",
       " 'Ejection fraction decreased',\n",
       " 'Leukocytosis',\n",
       " 'Blister',\n",
       " 'Drug withdrawal syndrome',\n",
       " 'Mood swings',\n",
       " 'Oral disorder',\n",
       " 'Hypersensitivity',\n",
       " 'Bradycardia',\n",
       " 'Electrocardiogram QT prolonged',\n",
       " 'Vertigo',\n",
       " 'Abdominal adhesions',\n",
       " 'Hepatomegaly',\n",
       " 'Splenomegaly',\n",
       " 'Hot flush',\n",
       " 'Atrioventricular block complete',\n",
       " 'Cardiac arrest',\n",
       " 'Coronary artery occlusion',\n",
       " 'Coronary artery stenosis',\n",
       " 'Haematocrit decreased',\n",
       " 'Sinus bradycardia',\n",
       " 'Sinus tachycardia',\n",
       " 'Dysuria',\n",
       " 'Myocardial infarction',\n",
       " 'Abdominal distension',\n",
       " 'Drug dependence',\n",
       " 'Melaena',\n",
       " 'Haemorrhage',\n",
       " 'Oesophagitis',\n",
       " 'Renal failure chronic',\n",
       " 'Cardiac failure congestive',\n",
       " 'Coronary artery disease',\n",
       " 'Hallucination, visual',\n",
       " 'Dysarthria',\n",
       " 'Incontinence',\n",
       " 'Myocardial ischaemia',\n",
       " 'Localised infection',\n",
       " 'Major depression',\n",
       " 'Liver function test abnormal',\n",
       " 'Cardiomegaly',\n",
       " 'Interstitial lung disease',\n",
       " 'Flatulence',\n",
       " 'Mitral valve incompetence',\n",
       " 'Pulmonary hypertension',\n",
       " 'Bronchitis',\n",
       " 'Aspartate aminotransferase increased',\n",
       " 'Muscle tightness',\n",
       " 'Hypotension',\n",
       " 'Altered state of consciousness',\n",
       " 'Blindness',\n",
       " 'Abnormal dreams',\n",
       " 'Injection site bruising',\n",
       " 'Oral candidiasis',\n",
       " 'Encephalopathy',\n",
       " 'Skin ulcer',\n",
       " 'Lacrimation increased',\n",
       " 'Lower respiratory tract infection',\n",
       " 'Oxygen saturation decreased',\n",
       " 'Erectile dysfunction',\n",
       " 'Hepatic steatosis',\n",
       " 'Arrhythmia',\n",
       " 'Atelectasis',\n",
       " 'Cardiac valve disease',\n",
       " 'Conjunctival haemorrhage',\n",
       " 'Deafness',\n",
       " 'Dyslipidaemia',\n",
       " 'Gastroenteritis',\n",
       " 'Gingival bleeding',\n",
       " 'Haematuria',\n",
       " 'Haemorrhoids',\n",
       " 'Hepatic cyst',\n",
       " 'Hypercalcaemia',\n",
       " 'Hyperlipidaemia',\n",
       " 'Hyperthyroidism',\n",
       " 'Hyponatraemia',\n",
       " 'Left ventricular hypertrophy',\n",
       " 'Libido decreased',\n",
       " 'Osteitis',\n",
       " 'Plasma cell myeloma',\n",
       " 'Skin lesion',\n",
       " 'Tachycardia',\n",
       " 'Thyroid neoplasm',\n",
       " 'Tooth infection',\n",
       " 'Tooth loss',\n",
       " 'Tricuspid valve incompetence',\n",
       " 'Arthropathy',\n",
       " 'Bursitis',\n",
       " 'Tooth disorder',\n",
       " 'Blood cholesterol increased',\n",
       " 'Aphthous stomatitis',\n",
       " 'Eye swelling',\n",
       " 'Injection site mass',\n",
       " 'Epilepsy',\n",
       " 'Hunger',\n",
       " 'Retching',\n",
       " 'Impaired healing',\n",
       " 'Tendon rupture',\n",
       " 'Mastication disorder',\n",
       " 'Acute myocardial infarction',\n",
       " 'Acute respiratory failure',\n",
       " 'Coagulopathy',\n",
       " 'Device malfunction',\n",
       " 'Emphysema',\n",
       " 'Extrasystoles',\n",
       " 'Fluid overload',\n",
       " 'Gingival disorder',\n",
       " 'Haematoma',\n",
       " 'Metabolic acidosis',\n",
       " 'Paraesthesia oral',\n",
       " 'Peritonitis',\n",
       " 'Pulmonary fibrosis',\n",
       " 'Ventricular tachycardia',\n",
       " 'Colitis',\n",
       " 'Sedation',\n",
       " 'Disseminated intravascular coagulation',\n",
       " 'Jaundice',\n",
       " 'Sinus congestion',\n",
       " 'Blood alkaline phosphatase increased',\n",
       " 'Cystitis',\n",
       " 'Eye pain',\n",
       " 'Faecal incontinence',\n",
       " 'Acute kidney injury',\n",
       " 'Small intestinal obstruction',\n",
       " 'Visual impairment',\n",
       " 'Joint range of motion decreased',\n",
       " 'Cachexia',\n",
       " 'Oral discomfort',\n",
       " 'Pelvic pain',\n",
       " 'Thyroid disorder',\n",
       " 'Wound secretion',\n",
       " 'Pleurisy',\n",
       " 'Angiopathy',\n",
       " 'Blood glucose decreased',\n",
       " 'Lung disorder',\n",
       " 'Prostate cancer',\n",
       " 'Lymphadenopathy',\n",
       " 'Acute myeloid leukaemia',\n",
       " 'Blindness unilateral',\n",
       " 'Thirst',\n",
       " 'Myopathy',\n",
       " 'Blood bilirubin increased',\n",
       " 'Ventricular hypertrophy',\n",
       " 'Gastrointestinal motility disorder',\n",
       " 'Ataxia',\n",
       " 'Blood glucose fluctuation',\n",
       " 'Gallbladder disorder',\n",
       " 'Blood creatine phosphokinase increased',\n",
       " 'Fibrosis',\n",
       " 'Upper limb fracture',\n",
       " 'Atrial flutter',\n",
       " 'Muscle twitching',\n",
       " 'Lower limb fracture',\n",
       " 'Injection site swelling',\n",
       " 'Orthopnoea',\n",
       " 'Frequent bowel movements',\n",
       " 'Abdominal pain lower',\n",
       " 'Drug administration error',\n",
       " 'Sinus disorder',\n",
       " 'Haematemesis',\n",
       " 'Cardiovascular disorder',\n",
       " 'Jaw disorder',\n",
       " 'Hepatitis',\n",
       " 'International normalised ratio increased',\n",
       " 'Febrile neutropenia',\n",
       " 'Pain of skin',\n",
       " 'Disability',\n",
       " 'Periodontitis',\n",
       " 'Renal tubular necrosis',\n",
       " 'Colon cancer',\n",
       " 'Dermatitis contact',\n",
       " 'Clostridium difficile colitis',\n",
       " 'Pregnancy',\n",
       " 'Hangover',\n",
       " 'Irritable bowel syndrome',\n",
       " 'Type 2 diabetes mellitus',\n",
       " 'C-reactive protein increased',\n",
       " 'Lower gastrointestinal haemorrhage',\n",
       " 'Lip swelling',\n",
       " 'Blood urine present',\n",
       " 'Cushingoid',\n",
       " 'Gastritis erosive',\n",
       " 'Status epilepticus',\n",
       " 'Cyanosis',\n",
       " 'Glycosylated haemoglobin increased',\n",
       " 'Kidney infection',\n",
       " 'Rash erythematous',\n",
       " 'Haemolytic anaemia',\n",
       " 'Hypernatraemia',\n",
       " 'Vaginal haemorrhage',\n",
       " 'Neoplasm malignant',\n",
       " 'Spinal cord compression',\n",
       " 'Acidosis',\n",
       " 'Anaphylactic shock',\n",
       " 'Heart rate abnormal',\n",
       " 'Paranoia',\n",
       " 'Haemoglobin abnormal',\n",
       " 'Anorectal discomfort',\n",
       " 'Injection site discolouration',\n",
       " 'Diabetic retinopathy',\n",
       " 'Neoplasm progression',\n",
       " 'Gingival pain',\n",
       " 'Gamma-glutamyltransferase increased',\n",
       " 'Skin hypertrophy',\n",
       " 'Abscess limb',\n",
       " 'Supraventricular tachycardia',\n",
       " 'Lymphoma',\n",
       " 'Blood urea increased',\n",
       " \"Dementia Alzheimer's type\",\n",
       " 'Gastric polyps',\n",
       " 'Ventricular extrasystoles',\n",
       " 'Eyelid ptosis',\n",
       " 'Subarachnoid haemorrhage',\n",
       " 'Agranulocytosis',\n",
       " 'Carotid artery occlusion',\n",
       " 'Dilatation atrial',\n",
       " 'Osteonecrosis',\n",
       " 'Hypophosphataemia',\n",
       " 'Obsessive-compulsive disorder',\n",
       " 'Ileus',\n",
       " 'Protein urine present',\n",
       " 'Dyspnoea paroxysmal nocturnal',\n",
       " 'Adrenal insufficiency',\n",
       " 'Intentional drug misuse',\n",
       " 'Diarrhoea haemorrhagic',\n",
       " \"Non-Hodgkin's lymphoma\",\n",
       " 'Grand mal convulsion',\n",
       " 'Leukaemia',\n",
       " 'Hepatic neoplasm',\n",
       " 'Diabetes mellitus inadequate control',\n",
       " 'Extrapyramidal disorder',\n",
       " 'Tooth discolouration',\n",
       " 'Diabetic coma',\n",
       " 'Ventricular dysfunction',\n",
       " 'Neuroleptic malignant syndrome',\n",
       " 'Application site erythema',\n",
       " 'Lactose intolerance',\n",
       " 'Angina unstable',\n",
       " 'Anaesthetic complication',\n",
       " 'Clostridial infection',\n",
       " 'Pulmonary haemorrhage',\n",
       " 'Right ventricular failure',\n",
       " 'Abnormal sensation in eye',\n",
       " 'Multiple allergies',\n",
       " 'Lung neoplasm',\n",
       " 'Performance status decreased',\n",
       " 'Intraocular pressure increased',\n",
       " 'Tachyarrhythmia',\n",
       " 'Sinus arrhythmia',\n",
       " 'Polycythaemia',\n",
       " 'Sudden cardiac death',\n",
       " 'Chromatopsia',\n",
       " 'Hepatitis cholestatic',\n",
       " 'Gingival infection',\n",
       " 'Idiopathic thrombocytopenic purpura',\n",
       " 'Cytolytic hepatitis',\n",
       " 'Anorexia',\n",
       " 'Drug toxicity',\n",
       " 'Neuropathy',\n",
       " 'Skin laceration',\n",
       " 'Mucosal inflammation',\n",
       " 'Face oedema',\n",
       " 'Procedural pain',\n",
       " 'Tenderness',\n",
       " 'Mass',\n",
       " 'Cholecystitis',\n",
       " 'Cholelithiasis',\n",
       " 'Liver disorder',\n",
       " 'Hypoalbuminaemia',\n",
       " 'Hepatitis C',\n",
       " 'Hepatotoxicity',\n",
       " 'Metastases to liver',\n",
       " 'Stevens-Johnson syndrome',\n",
       " 'Dermatitis exfoliative',\n",
       " 'Toxic epidermal necrolysis',\n",
       " 'Rhinitis allergic',\n",
       " 'Systemic lupus erythematosus',\n",
       " 'Immune system disorder',\n",
       " 'Bacterial infection',\n",
       " 'Fungal infection',\n",
       " 'Abscess',\n",
       " 'Device related infection',\n",
       " 'Wound infection',\n",
       " 'Lung infection',\n",
       " 'Bacteraemia',\n",
       " 'Chronic sinusitis',\n",
       " 'Rhinitis',\n",
       " 'Herpes simplex',\n",
       " 'Joint injury',\n",
       " 'Limb injury',\n",
       " 'Femoral neck fracture',\n",
       " 'Femur fracture',\n",
       " 'Foot fracture',\n",
       " 'Spinal compression fracture',\n",
       " 'Nephropathy toxic',\n",
       " 'Haemothorax',\n",
       " 'Laceration',\n",
       " 'Back injury',\n",
       " 'Head injury',\n",
       " 'Cardiac murmur',\n",
       " 'Electrocardiogram abnormal',\n",
       " 'Pulse absent',\n",
       " 'Blood lactate dehydrogenase increased',\n",
       " 'Red blood cell count decreased',\n",
       " 'Neutrophil count increased',\n",
       " 'Laboratory test abnormal',\n",
       " 'Blood triglycerides increased',\n",
       " 'Blood albumin decreased',\n",
       " 'Protein total decreased',\n",
       " 'Malnutrition',\n",
       " 'Electrolyte imbalance',\n",
       " 'Tumour lysis syndrome',\n",
       " 'Hypovolaemia',\n",
       " 'Metabolic disorder',\n",
       " 'Bone lesion',\n",
       " 'Spinal disorder',\n",
       " 'Myositis',\n",
       " 'Trismus',\n",
       " 'Intervertebral disc disorder',\n",
       " 'Scoliosis',\n",
       " 'Musculoskeletal chest pain',\n",
       " 'Fistula',\n",
       " 'Groin pain',\n",
       " 'Breast cancer',\n",
       " 'Breast cancer female',\n",
       " 'Adenocarcinoma',\n",
       " 'Brain neoplasm',\n",
       " 'Renal cyst',\n",
       " 'Ovarian cyst',\n",
       " 'Ovarian cancer',\n",
       " 'Lung neoplasm malignant',\n",
       " 'Basal cell carcinoma',\n",
       " 'Skin cancer',\n",
       " 'Transient ischaemic attack',\n",
       " 'Sinus headache',\n",
       " 'Dementia',\n",
       " 'Cognitive disorder',\n",
       " \"Parkinson's disease\",\n",
       " 'Coma',\n",
       " 'Motor dysfunction',\n",
       " 'Agitation',\n",
       " 'Unresponsive to stimuli',\n",
       " 'Hyperaesthesia',\n",
       " 'Peroneal nerve palsy',\n",
       " 'Sleep apnoea syndrome',\n",
       " 'Hallucination',\n",
       " 'Anuria',\n",
       " 'Oliguria',\n",
       " 'Nocturia',\n",
       " 'Breast mass',\n",
       " 'Vulvovaginal pruritus',\n",
       " 'Obstructive airways disorder',\n",
       " 'Acute respiratory distress syndrome',\n",
       " 'Pneumothorax',\n",
       " 'Apnoea',\n",
       " 'Respiratory arrest',\n",
       " 'Aspiration',\n",
       " 'Pulmonary mass',\n",
       " 'Pharyngeal erythema',\n",
       " 'Dermatitis bullous',\n",
       " 'Skin disorder',\n",
       " 'Dermatitis',\n",
       " 'Skin exfoliation',\n",
       " 'Psoriasis',\n",
       " 'Rash generalised',\n",
       " 'Rosacea',\n",
       " 'Arteriosclerosis',\n",
       " 'Blood pressure fluctuation',\n",
       " 'Embolism venous',\n",
       " 'Peripheral vascular disorder',\n",
       " 'Vitreous floaters',\n",
       " 'Iron deficiency anaemia',\n",
       " 'Microcytic anaemia',\n",
       " 'Normochromic normocytic anaemia',\n",
       " 'Aplastic anaemia',\n",
       " 'Increased tendency to bruise',\n",
       " 'Petechiae',\n",
       " 'Purpura',\n",
       " 'Blood disorder',\n",
       " 'Sickle cell anaemia',\n",
       " 'Haemolysis',\n",
       " 'Jaundice neonatal',\n",
       " 'Acute leukaemia',\n",
       " 'Myelodysplastic syndrome',\n",
       " 'B-cell lymphoma',\n",
       " 'Heparin-induced thrombocytopenia',\n",
       " 'Hepatosplenomegaly',\n",
       " 'Lymphadenitis',\n",
       " 'Lymphoedema',\n",
       " 'Splenic infarction',\n",
       " 'Infectious mononucleosis',\n",
       " 'Lymphopenia',\n",
       " 'Neutropenic infection',\n",
       " 'Neutropenic sepsis',\n",
       " 'Atrioventricular block',\n",
       " 'Cardiac flutter',\n",
       " 'Arrhythmia supraventricular',\n",
       " 'Atrial tachycardia',\n",
       " 'Supraventricular extrasystoles',\n",
       " 'Torsade de pointes',\n",
       " 'Heart disease congenital',\n",
       " 'Orthostatic intolerance',\n",
       " 'Dizziness postural',\n",
       " 'Haemoptysis',\n",
       " 'Aortic valve incompetence',\n",
       " 'Aortic valve sclerosis',\n",
       " 'Aortic valve stenosis',\n",
       " 'Pulmonary valve incompetence',\n",
       " 'Arteriosclerosis coronary artery',\n",
       " 'Coronary artery thrombosis',\n",
       " 'Arteriospasm coronary',\n",
       " 'Localised oedema',\n",
       " 'Acute pulmonary oedema',\n",
       " 'Cardiomyopathy',\n",
       " 'Ischaemic cardiomyopathy',\n",
       " 'Diastolic dysfunction',\n",
       " 'Left ventricular dysfunction',\n",
       " 'Ventricular hypokinesia',\n",
       " 'Myocarditis',\n",
       " 'Pericarditis',\n",
       " 'Peripheral swelling',\n",
       " 'Congenital anomaly',\n",
       " 'Syndactyly',\n",
       " 'Craniosynostosis',\n",
       " 'Pectus excavatum',\n",
       " 'Congenital hydronephrosis',\n",
       " 'Fanconi syndrome',\n",
       " 'Cryptorchism',\n",
       " 'Deafness bilateral',\n",
       " 'Deafness neurosensory',\n",
       " 'Hearing impaired',\n",
       " 'Mastoiditis',\n",
       " 'Otitis media',\n",
       " 'Diabetic complication',\n",
       " 'Diabetic ketoacidosis',\n",
       " 'Diabetic neuropathy',\n",
       " 'Diabetic nephropathy',\n",
       " 'Amenorrhoea',\n",
       " 'Gestational diabetes',\n",
       " 'Type 1 diabetes mellitus',\n",
       " 'Hyperprolactinaemia',\n",
       " 'Galactorrhoea',\n",
       " 'Polydipsia',\n",
       " 'Hyperparathyroidism',\n",
       " 'Calcium deficiency',\n",
       " 'Goitre',\n",
       " \"Basedow's disease\",\n",
       " 'Exophthalmos',\n",
       " 'Corneal abrasion',\n",
       " 'Dacryostenosis acquired',\n",
       " 'Dry eye',\n",
       " \"Sjogren's syndrome\",\n",
       " 'Eye haemorrhage',\n",
       " 'Punctate keratitis',\n",
       " 'Iridocyclitis',\n",
       " 'Eye discharge',\n",
       " 'Eye pruritus',\n",
       " 'Optic neuritis',\n",
       " 'Macular oedema',\n",
       " 'Eye injury',\n",
       " 'Miosis',\n",
       " 'Pupils unequal',\n",
       " 'Photophobia',\n",
       " 'Optic atrophy',\n",
       " 'Papilloedema',\n",
       " 'Retinal detachment',\n",
       " 'Vitreous haemorrhage',\n",
       " 'Retinal haemorrhage',\n",
       " 'Blindness transient',\n",
       " 'Visual disturbance',\n",
       " 'Inguinal hernia',\n",
       " 'Proctalgia',\n",
       " 'Colonic polyp',\n",
       " 'Alveolar osteitis',\n",
       " 'Gingival recession',\n",
       " 'Gingivitis',\n",
       " 'Gingival abscess',\n",
       " 'Food poisoning',\n",
       " 'Gastrointestinal stoma complication',\n",
       " \"Barrett's oesophagus\",\n",
       " 'Hyperchlorhydria',\n",
       " 'Intestinal haemorrhage',\n",
       " 'Helicobacter gastritis',\n",
       " 'Abdominal abscess',\n",
       " 'Gastrointestinal infection',\n",
       " 'Clostridium colitis',\n",
       " 'Cytomegalovirus colitis',\n",
       " 'Oesophageal candidiasis',\n",
       " 'Fungal peritonitis',\n",
       " 'Peritonitis bacterial',\n",
       " 'Colitis ischaemic',\n",
       " 'Colitis ulcerative',\n",
       " 'Caecitis',\n",
       " \"Crohn's disease\",\n",
       " 'Duodenitis',\n",
       " 'Enteritis',\n",
       " 'Enterocolitis',\n",
       " 'Inflammatory bowel disease',\n",
       " 'Post procedural diarrhoea',\n",
       " 'Colonic pseudo-obstruction',\n",
       " 'Impaired gastric emptying',\n",
       " 'Ileus paralytic',\n",
       " 'Gastrointestinal sounds abnormal',\n",
       " 'Eructation',\n",
       " 'Abnormal faeces',\n",
       " 'Faeces discoloured',\n",
       " 'Abdominal rigidity',\n",
       " 'Abdominal tenderness',\n",
       " 'Gastrointestinal pain',\n",
       " 'Oesophageal pain',\n",
       " 'Breath odour',\n",
       " 'Early satiety',\n",
       " 'Hyperphagia',\n",
       " 'Pelvic discomfort',\n",
       " 'Regurgitation',\n",
       " 'Volvulus',\n",
       " 'Oesophageal stenosis',\n",
       " 'Duodenal ulcer',\n",
       " 'Duodenal ulcer perforation',\n",
       " 'Intestinal perforation',\n",
       " 'Intestinal ulcer',\n",
       " 'Large intestine perforation',\n",
       " 'Small intestinal perforation',\n",
       " 'Oesophageal ulcer',\n",
       " 'Peptic ulcer',\n",
       " 'Intestinal ischaemia',\n",
       " 'Malabsorption',\n",
       " 'Oesophageal carcinoma',\n",
       " 'Pancreatic carcinoma',\n",
       " 'Chapped lips',\n",
       " 'Cheilitis',\n",
       " 'Pharyngitis',\n",
       " 'Odynophagia',\n",
       " 'Hypoaesthesia oral',\n",
       " 'Gingival swelling',\n",
       " 'Oedema mouth',\n",
       " 'Retroperitoneal haemorrhage',\n",
       " 'Salivary hypersecretion',\n",
       " 'Glossitis',\n",
       " 'Tongue disorder',\n",
       " 'Markedly reduced dietary intake',\n",
       " 'Catheter related infection',\n",
       " 'Catheter site infection',\n",
       " 'Infusion site infection',\n",
       " 'Infusion site swelling',\n",
       " 'Injection site abscess',\n",
       " 'Injection site haematoma',\n",
       " 'Injection site haemorrhage',\n",
       " 'Feeling of body temperature change',\n",
       " 'Peripheral coldness',\n",
       " 'Temperature intolerance',\n",
       " 'Adhesion',\n",
       " 'Bloody discharge',\n",
       " 'Developmental delay',\n",
       " 'Disease recurrence',\n",
       " 'Night sweats',\n",
       " 'Organ failure',\n",
       " 'Pallor',\n",
       " 'Yellow skin',\n",
       " 'Hernia',\n",
       " 'Granuloma',\n",
       " 'Mucous membrane disorder',\n",
       " 'Polyp',\n",
       " 'Capillary leak syndrome',\n",
       " 'Generalised oedema',\n",
       " 'Breakthrough pain',\n",
       " 'Discomfort',\n",
       " 'Facial pain',\n",
       " 'Flank pain',\n",
       " 'Non-cardiac chest pain',\n",
       " 'Product taste abnormal',\n",
       " 'Drug effect increased',\n",
       " 'Therapeutic response decreased',\n",
       " 'Therapeutic response unexpected',\n",
       " 'Cyst',\n",
       " 'Nodule',\n",
       " 'Necrosis',\n",
       " 'Atrophy',\n",
       " 'Biliary colic',\n",
       " 'Cholangitis',\n",
       " 'Biliary tract disorder',\n",
       " 'Cholecystitis acute',\n",
       " 'Cholecystitis chronic',\n",
       " 'Cholestasis',\n",
       " 'Liver injury',\n",
       " 'Hepatic function abnormal',\n",
       " 'Acute hepatic failure',\n",
       " 'Hepatic fibrosis',\n",
       " 'Liver abscess',\n",
       " 'Portal vein thrombosis',\n",
       " 'Venoocclusive liver disease',\n",
       " 'Autoimmune hepatitis',\n",
       " 'Hepatic necrosis',\n",
       " 'Hepatitis fulminant',\n",
       " 'Bronchospasm',\n",
       " 'Erythema nodosum',\n",
       " 'Serum sickness',\n",
       " 'Type IV hypersensitivity reaction',\n",
       " 'Reaction to drug excipients',\n",
       " 'Red man syndrome',\n",
       " 'Angioedema',\n",
       " 'Dermatitis atopic',\n",
       " 'Seasonal allergy',\n",
       " 'Autoimmune disorder',\n",
       " 'Guillain-Barre syndrome',\n",
       " 'Polymyalgia rheumatica',\n",
       " 'Amyloidosis',\n",
       " 'Glomerulonephritis',\n",
       " 'Graft versus host disease',\n",
       " 'Transplant rejection',\n",
       " 'Vasculitis',\n",
       " 'Immunodeficiency',\n",
       " 'Immunosuppression',\n",
       " 'Post herpetic neuralgia',\n",
       " 'Gangrene',\n",
       " 'Vaginitis bacterial',\n",
       " 'Enterococcal infection',\n",
       " 'Helicobacter infection',\n",
       " 'Pseudomonas infection',\n",
       " 'Cellulitis staphylococcal',\n",
       " 'Staphylococcal bacteraemia',\n",
       " 'Streptococcal sepsis',\n",
       " 'Bronchopulmonary aspergillosis',\n",
       " 'Skin candida',\n",
       " 'Vulvovaginal mycotic infection',\n",
       " 'Brain abscess',\n",
       " 'Meningitis',\n",
       " 'Vaginal infection',\n",
       " 'Opportunistic infection',\n",
       " 'Postoperative wound infection',\n",
       " 'Bronchiectasis',\n",
       " 'Bronchopneumonia',\n",
       " 'Lobar pneumonia',\n",
       " 'Necrotising fasciitis',\n",
       " 'Furuncle',\n",
       " 'Paronychia',\n",
       " 'Subcutaneous abscess',\n",
       " 'Acute sinusitis',\n",
       " 'Laryngitis',\n",
       " 'Pyelonephritis',\n",
       " 'Pyelonephritis acute',\n",
       " 'Tuberculosis',\n",
       " 'Adenovirus infection',\n",
       " 'Cytomegalovirus infection',\n",
       " 'Cytomegalovirus viraemia',\n",
       " 'Genital herpes',\n",
       " 'Progressive multifocal leukoencephalopathy',\n",
       " 'Viral upper respiratory tract infection',\n",
       " 'Fracture',\n",
       " 'Joint dislocation',\n",
       " 'Stress fracture',\n",
       " 'Joint sprain',\n",
       " 'Ankle fracture',\n",
       " 'Facial bones fracture',\n",
       " 'Thoracic vertebral fracture',\n",
       " 'Humerus fracture',\n",
       " 'Radius fracture',\n",
       " 'Wrist fracture',\n",
       " 'Acute generalised exanthematous pustulosis',\n",
       " 'Neurotoxicity',\n",
       " 'Brain herniation',\n",
       " 'Muscle injury',\n",
       " 'Muscle strain',\n",
       " 'Tendonitis',\n",
       " 'Nerve compression',\n",
       " 'Nerve injury',\n",
       " 'Arthropod bite',\n",
       " 'Excoriation',\n",
       " 'Scratch',\n",
       " 'Accidental overdose',\n",
       " 'Phlebitis',\n",
       " 'Medical device complication',\n",
       " 'Graft thrombosis',\n",
       " 'Post procedural complication',\n",
       " 'Post procedural haemorrhage',\n",
       " 'Postoperative wound complication',\n",
       " 'Procedural complication',\n",
       " 'Electrocardiogram ST segment depression',\n",
       " 'Electrocardiogram ST segment elevation',\n",
       " 'Electrocardiogram T wave abnormal',\n",
       " 'Pulse pressure decreased',\n",
       " 'Blood pressure abnormal',\n",
       " 'Blood pressure systolic increased',\n",
       " 'Blood thyroid stimulating hormone increased',\n",
       " 'Blood testosterone decreased',\n",
       " 'Troponin increased',\n",
       " 'Lipase increased',\n",
       " 'Occult blood positive',\n",
       " 'Activated partial thromboplastin time prolonged',\n",
       " 'International normalised ratio abnormal',\n",
       " 'International normalised ratio decreased',\n",
       " 'Haematocrit increased',\n",
       " 'CD4 lymphocytes decreased',\n",
       " 'Eosinophil count increased',\n",
       " 'Lymphocyte count decreased',\n",
       " 'Neutrophil count decreased',\n",
       " 'Neutrophil percentage increased',\n",
       " 'Ammonia increased',\n",
       " 'Bilirubin conjugated increased',\n",
       " 'Hepatic enzyme abnormal',\n",
       " 'Transaminases increased',\n",
       " 'Antinuclear antibody increased',\n",
       " 'Antinuclear antibody positive',\n",
       " 'Blood test abnormal',\n",
       " 'High density lipoprotein decreased',\n",
       " 'Blood gases abnormal',\n",
       " 'Blood glucose abnormal',\n",
       " 'Blood uric acid increased',\n",
       " 'Blood culture positive',\n",
       " 'Body temperature decreased',\n",
       " 'Body temperature increased',\n",
       " 'Breath sounds abnormal',\n",
       " 'Respiratory rate decreased',\n",
       " ...]"
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SE_final"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "4f39556209f444deb6cbaef422ba5afa",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "HBox(children=(HTML(value=''), FloatProgress(value=0.0, max=4029.0), HTML(value='')))"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n"
     ]
    },
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>PSE</th>\n",
       "      <th>Count</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>Arthralgia</td>\n",
       "      <td>119763</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>Diarrhoea</td>\n",
       "      <td>156590</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>Headache</td>\n",
       "      <td>138533</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>Vomiting</td>\n",
       "      <td>153059</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Dyspepsia</td>\n",
       "      <td>63487</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4024</th>\n",
       "      <td>Bladder necrosis</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4025</th>\n",
       "      <td>Tibial torsion</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4026</th>\n",
       "      <td>Foot and mouth disease</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4027</th>\n",
       "      <td>Neuromuscular toxicity</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4028</th>\n",
       "      <td>Adrenal cortex atrophy</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>4029 rows × 2 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                         PSE   Count\n",
       "0                 Arthralgia  119763\n",
       "1                  Diarrhoea  156590\n",
       "2                   Headache  138533\n",
       "3                   Vomiting  153059\n",
       "4                  Dyspepsia   63487\n",
       "...                      ...     ...\n",
       "4024        Bladder necrosis       1\n",
       "4025          Tibial torsion       1\n",
       "4026  Foot and mouth disease       1\n",
       "4027  Neuromuscular toxicity       1\n",
       "4028  Adrenal cortex atrophy       1\n",
       "\n",
       "[4029 rows x 2 columns]"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "tmp = ts.groupby(by='PSE')   \n",
    "df = []   \n",
    "for SE in tqdm(SE_final):\n",
    "    PSE_df = tmp.get_group(SE)\n",
    "    row =  {'PSE': SE, 'Count': len(PSE_df)}\n",
    "    df.append(row)    \n",
    "\n",
    "SE_count = pd.DataFrame.from_dict(df)\n",
    "SE_count"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "3347"
      ]
     },
     "execution_count": 19,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# PSEs that will be used to build the GNN\n",
    "#SEs_final = SE_count.loc[SE_count['Count'] > SE_count['Count'].mean()] # x0.5 for 1830\n",
    "SEs_final = SE_count.loc[SE_count['Count'] > 100] # for 1830\n",
    "SEs_final = SEs_final['PSE'].tolist()\n",
    "len(SEs_final)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['Arthralgia',\n",
       " 'Diarrhoea',\n",
       " 'Headache',\n",
       " 'Vomiting',\n",
       " 'Dyspepsia',\n",
       " 'Renal impairment',\n",
       " 'Drug hypersensitivity',\n",
       " 'Cough',\n",
       " 'Throat irritation',\n",
       " 'Rhinorrhoea',\n",
       " 'Malaise',\n",
       " 'Hepatic enzyme increased',\n",
       " 'Back pain',\n",
       " 'Fluid retention',\n",
       " 'Oedema peripheral',\n",
       " 'Oedema',\n",
       " 'Death',\n",
       " 'Cerebrovascular accident',\n",
       " 'Pain',\n",
       " 'Wound',\n",
       " 'Fatigue',\n",
       " 'Gastrooesophageal reflux disease',\n",
       " 'Sinusitis',\n",
       " 'Urinary tract infection',\n",
       " 'Fall',\n",
       " 'Ocular icterus',\n",
       " 'Bone pain',\n",
       " 'Nausea',\n",
       " 'Paraesthesia',\n",
       " 'General physical health deterioration',\n",
       " 'Abdominal pain',\n",
       " 'Anxiety',\n",
       " 'Emotional distress',\n",
       " 'Injury',\n",
       " 'Memory impairment',\n",
       " 'Rash',\n",
       " 'Alanine aminotransferase increased',\n",
       " 'Drug eruption',\n",
       " 'Chest pain',\n",
       " 'Contusion',\n",
       " 'Dyspnoea',\n",
       " 'Stress',\n",
       " 'Asthenia',\n",
       " 'Depression',\n",
       " 'Dysgeusia',\n",
       " 'Weight decreased',\n",
       " 'Pruritus',\n",
       " 'Feeling abnormal',\n",
       " 'Muscle spasms',\n",
       " 'Nightmare',\n",
       " 'Convulsion',\n",
       " 'Hyperhidrosis',\n",
       " 'Disturbance in attention',\n",
       " 'Urinary retention',\n",
       " 'Dizziness',\n",
       " 'Haemoglobin decreased',\n",
       " 'White blood cell count decreased',\n",
       " 'Burning sensation',\n",
       " 'Flushing',\n",
       " 'Anhedonia',\n",
       " 'Gastrointestinal haemorrhage',\n",
       " 'Atrial septal defect',\n",
       " 'Abasia',\n",
       " 'Depressed mood',\n",
       " 'Drug ineffective',\n",
       " 'Deep vein thrombosis',\n",
       " 'Dehydration',\n",
       " 'Hip fracture',\n",
       " 'Injection site pain',\n",
       " 'Insomnia',\n",
       " 'Intestinal obstruction',\n",
       " 'Musculoskeletal pain',\n",
       " 'Nasal congestion',\n",
       " 'Neck pain',\n",
       " 'Rotator cuff syndrome',\n",
       " 'Spinal fracture',\n",
       " 'Rash macular',\n",
       " 'Erythema',\n",
       " 'Irritability',\n",
       " 'Leukopenia',\n",
       " 'Injection site pruritus',\n",
       " 'Anaemia',\n",
       " 'Suicidal ideation',\n",
       " 'Thrombocytopenia',\n",
       " 'Drug intolerance',\n",
       " 'Gastritis',\n",
       " 'Herpes zoster',\n",
       " 'Hypertension',\n",
       " 'Osteoarthritis',\n",
       " 'Osteopenia',\n",
       " 'Rib fracture',\n",
       " 'Anger',\n",
       " 'Ear infection',\n",
       " 'Rheumatoid arthritis',\n",
       " 'Arthritis',\n",
       " 'Diabetes mellitus',\n",
       " 'Abdominal discomfort',\n",
       " 'Nasopharyngitis',\n",
       " 'Pain in extremity',\n",
       " 'Aggression',\n",
       " 'Emotional disorder',\n",
       " 'Gynaecomastia',\n",
       " 'Migraine',\n",
       " 'Obesity',\n",
       " 'Tardive dyskinesia',\n",
       " 'Abdominal pain upper',\n",
       " 'Menstruation irregular',\n",
       " 'Gastric ulcer',\n",
       " 'Multi-organ failure',\n",
       " 'Subdural haematoma',\n",
       " 'Upper gastrointestinal haemorrhage',\n",
       " 'Disorientation',\n",
       " 'Loss of consciousness',\n",
       " 'Somnolence',\n",
       " 'Road traffic accident',\n",
       " 'Confusional state',\n",
       " 'Alopecia',\n",
       " 'Encephalitis',\n",
       " 'Heart rate irregular',\n",
       " 'Platelet count decreased',\n",
       " 'White blood cell count increased',\n",
       " 'Tremor',\n",
       " 'Aphagia',\n",
       " 'Infection',\n",
       " 'Neutropenia',\n",
       " 'Haematochezia',\n",
       " 'Rectal haemorrhage',\n",
       " 'Vision blurred',\n",
       " 'Visual acuity reduced',\n",
       " 'Inflammation',\n",
       " 'Hypoaesthesia',\n",
       " 'Mobility decreased',\n",
       " 'Myalgia',\n",
       " 'Conjunctivitis',\n",
       " 'Chest discomfort',\n",
       " 'Viral infection',\n",
       " 'Musculoskeletal stiffness',\n",
       " 'Pneumonia',\n",
       " 'Infusion related reaction',\n",
       " 'Condition aggravated',\n",
       " 'Disease progression',\n",
       " 'Ascites',\n",
       " 'Cardiac failure',\n",
       " 'Renal failure',\n",
       " 'Atrial fibrillation',\n",
       " 'Device dislocation',\n",
       " 'Scar',\n",
       " 'Blood glucose increased',\n",
       " 'Hepatic failure',\n",
       " 'Joint swelling',\n",
       " 'Asthma',\n",
       " 'Cold sweat',\n",
       " 'Amnesia',\n",
       " 'Diplopia',\n",
       " 'Hypothyroidism',\n",
       " 'Angina pectoris',\n",
       " 'Pancytopenia',\n",
       " 'Wheezing',\n",
       " 'Haemorrhagic stroke',\n",
       " 'Lung infiltration',\n",
       " 'Osteonecrosis of jaw',\n",
       " 'Poor quality sleep',\n",
       " 'Blepharitis',\n",
       " 'Cataract',\n",
       " 'Cerebral haemorrhage',\n",
       " 'Decreased appetite',\n",
       " 'Dry mouth',\n",
       " 'Dyspnoea exertional',\n",
       " 'Ear pain',\n",
       " 'Eczema',\n",
       " 'Hyperglycaemia',\n",
       " 'Hypokalaemia',\n",
       " 'Oral pain',\n",
       " 'Pain in jaw',\n",
       " 'Pollakiuria',\n",
       " 'Sensitivity of teeth',\n",
       " 'Shock',\n",
       " 'Skin discolouration',\n",
       " 'Snoring',\n",
       " 'Speech disorder',\n",
       " 'Throat tightness',\n",
       " 'Urinary incontinence',\n",
       " 'Urticaria',\n",
       " 'Vitreous detachment',\n",
       " 'Muscular weakness',\n",
       " 'Ulcer',\n",
       " 'Diverticulum',\n",
       " 'Hypoglycaemia',\n",
       " 'Gastric disorder',\n",
       " 'Hypercholesterolaemia',\n",
       " 'Metastases to peritoneum',\n",
       " 'Nephrolithiasis',\n",
       " 'Osteoporosis',\n",
       " 'Pancreatitis',\n",
       " 'Nervous system disorder',\n",
       " 'Chills',\n",
       " 'Gait disturbance',\n",
       " 'Influenza like illness',\n",
       " 'Myopia',\n",
       " 'Toothache',\n",
       " 'Depressed level of consciousness',\n",
       " 'Staphylococcal infection',\n",
       " 'Tinnitus',\n",
       " 'Pericardial effusion',\n",
       " 'Drug abuse',\n",
       " 'Hypoxia',\n",
       " 'Renal failure acute',\n",
       " 'Rhabdomyolysis',\n",
       " 'Stomatitis',\n",
       " 'Pulmonary oedema',\n",
       " 'Glaucoma',\n",
       " 'Aphasia',\n",
       " 'Balance disorder',\n",
       " 'Pulmonary congestion',\n",
       " 'Feeling hot',\n",
       " 'Bundle branch block left',\n",
       " 'Chronic obstructive pulmonary disease',\n",
       " 'Hyperkalaemia',\n",
       " 'Syncope',\n",
       " 'Upper respiratory tract infection',\n",
       " 'Bruxism',\n",
       " 'Dental caries',\n",
       " 'Diverticulitis',\n",
       " 'Drug effect decreased',\n",
       " 'Gastrointestinal disorder',\n",
       " 'Hiatus hernia',\n",
       " 'Injection site reaction',\n",
       " 'Mouth ulceration',\n",
       " 'Respiratory tract infection',\n",
       " 'Influenza',\n",
       " 'Neuralgia',\n",
       " 'Neuropathy peripheral',\n",
       " 'Osteomyelitis',\n",
       " 'Tooth fracture',\n",
       " 'Sleep disorder',\n",
       " 'Drug interaction',\n",
       " 'Hepatic cirrhosis',\n",
       " 'Fibromyalgia',\n",
       " 'Lethargy',\n",
       " 'Blood pressure increased',\n",
       " 'Constipation',\n",
       " 'Feeling cold',\n",
       " 'Glossodynia',\n",
       " 'Mental disorder',\n",
       " 'Weight increased',\n",
       " 'Blood potassium decreased',\n",
       " 'Cellulitis',\n",
       " 'Exostosis',\n",
       " 'Oral infection',\n",
       " 'Tooth abscess',\n",
       " 'Intervertebral disc protrusion',\n",
       " 'Swelling',\n",
       " 'Sepsis',\n",
       " 'Proteinuria',\n",
       " 'Oropharyngeal pain',\n",
       " 'Dysphagia',\n",
       " 'Ecchymosis',\n",
       " 'Eyelid oedema',\n",
       " 'Productive cough',\n",
       " 'Bone disorder',\n",
       " 'Panic attack',\n",
       " 'Epistaxis',\n",
       " 'Local swelling',\n",
       " 'Pharyngeal oedema',\n",
       " 'Swelling face',\n",
       " 'Swollen tongue',\n",
       " 'Thrombosis',\n",
       " 'Respiratory failure',\n",
       " 'Suicide attempt',\n",
       " 'Septic shock',\n",
       " 'Pancreatitis acute',\n",
       " 'Presyncope',\n",
       " 'Respiratory distress',\n",
       " 'Pulmonary embolism',\n",
       " 'Mania',\n",
       " 'Palpitations',\n",
       " 'Injection site erythema',\n",
       " 'Cardiac disorder',\n",
       " 'Dyskinesia',\n",
       " 'Nervousness',\n",
       " 'Compression fracture',\n",
       " 'Pleural effusion',\n",
       " 'Dysstasia',\n",
       " 'Blood creatinine increased',\n",
       " 'Cardio-respiratory arrest',\n",
       " 'Mental status changes',\n",
       " 'Generalised erythema',\n",
       " 'Eye disorder',\n",
       " 'Ocular hyperaemia',\n",
       " 'Ejection fraction decreased',\n",
       " 'Leukocytosis',\n",
       " 'Blister',\n",
       " 'Drug withdrawal syndrome',\n",
       " 'Mood swings',\n",
       " 'Oral disorder',\n",
       " 'Hypersensitivity',\n",
       " 'Bradycardia',\n",
       " 'Electrocardiogram QT prolonged',\n",
       " 'Vertigo',\n",
       " 'Abdominal adhesions',\n",
       " 'Hepatomegaly',\n",
       " 'Splenomegaly',\n",
       " 'Hot flush',\n",
       " 'Atrioventricular block complete',\n",
       " 'Cardiac arrest',\n",
       " 'Coronary artery occlusion',\n",
       " 'Coronary artery stenosis',\n",
       " 'Haematocrit decreased',\n",
       " 'Sinus bradycardia',\n",
       " 'Sinus tachycardia',\n",
       " 'Dysuria',\n",
       " 'Myocardial infarction',\n",
       " 'Abdominal distension',\n",
       " 'Drug dependence',\n",
       " 'Melaena',\n",
       " 'Haemorrhage',\n",
       " 'Oesophagitis',\n",
       " 'Renal failure chronic',\n",
       " 'Cardiac failure congestive',\n",
       " 'Coronary artery disease',\n",
       " 'Hallucination, visual',\n",
       " 'Dysarthria',\n",
       " 'Incontinence',\n",
       " 'Myocardial ischaemia',\n",
       " 'Localised infection',\n",
       " 'Major depression',\n",
       " 'Liver function test abnormal',\n",
       " 'Cardiomegaly',\n",
       " 'Interstitial lung disease',\n",
       " 'Flatulence',\n",
       " 'Mitral valve incompetence',\n",
       " 'Pulmonary hypertension',\n",
       " 'Bronchitis',\n",
       " 'Aspartate aminotransferase increased',\n",
       " 'Muscle tightness',\n",
       " 'Hypotension',\n",
       " 'Altered state of consciousness',\n",
       " 'Blindness',\n",
       " 'Abnormal dreams',\n",
       " 'Injection site bruising',\n",
       " 'Oral candidiasis',\n",
       " 'Encephalopathy',\n",
       " 'Skin ulcer',\n",
       " 'Lacrimation increased',\n",
       " 'Lower respiratory tract infection',\n",
       " 'Oxygen saturation decreased',\n",
       " 'Erectile dysfunction',\n",
       " 'Hepatic steatosis',\n",
       " 'Arrhythmia',\n",
       " 'Atelectasis',\n",
       " 'Cardiac valve disease',\n",
       " 'Conjunctival haemorrhage',\n",
       " 'Deafness',\n",
       " 'Dyslipidaemia',\n",
       " 'Gastroenteritis',\n",
       " 'Gingival bleeding',\n",
       " 'Haematuria',\n",
       " 'Haemorrhoids',\n",
       " 'Hepatic cyst',\n",
       " 'Hypercalcaemia',\n",
       " 'Hyperlipidaemia',\n",
       " 'Hyperthyroidism',\n",
       " 'Hyponatraemia',\n",
       " 'Left ventricular hypertrophy',\n",
       " 'Libido decreased',\n",
       " 'Osteitis',\n",
       " 'Plasma cell myeloma',\n",
       " 'Skin lesion',\n",
       " 'Tachycardia',\n",
       " 'Thyroid neoplasm',\n",
       " 'Tooth infection',\n",
       " 'Tooth loss',\n",
       " 'Tricuspid valve incompetence',\n",
       " 'Arthropathy',\n",
       " 'Bursitis',\n",
       " 'Tooth disorder',\n",
       " 'Blood cholesterol increased',\n",
       " 'Aphthous stomatitis',\n",
       " 'Eye swelling',\n",
       " 'Injection site mass',\n",
       " 'Epilepsy',\n",
       " 'Hunger',\n",
       " 'Retching',\n",
       " 'Impaired healing',\n",
       " 'Tendon rupture',\n",
       " 'Mastication disorder',\n",
       " 'Acute myocardial infarction',\n",
       " 'Acute respiratory failure',\n",
       " 'Coagulopathy',\n",
       " 'Device malfunction',\n",
       " 'Emphysema',\n",
       " 'Extrasystoles',\n",
       " 'Fluid overload',\n",
       " 'Gingival disorder',\n",
       " 'Haematoma',\n",
       " 'Metabolic acidosis',\n",
       " 'Paraesthesia oral',\n",
       " 'Peritonitis',\n",
       " 'Pulmonary fibrosis',\n",
       " 'Ventricular tachycardia',\n",
       " 'Colitis',\n",
       " 'Sedation',\n",
       " 'Disseminated intravascular coagulation',\n",
       " 'Jaundice',\n",
       " 'Sinus congestion',\n",
       " 'Blood alkaline phosphatase increased',\n",
       " 'Cystitis',\n",
       " 'Eye pain',\n",
       " 'Faecal incontinence',\n",
       " 'Acute kidney injury',\n",
       " 'Small intestinal obstruction',\n",
       " 'Visual impairment',\n",
       " 'Joint range of motion decreased',\n",
       " 'Cachexia',\n",
       " 'Oral discomfort',\n",
       " 'Pelvic pain',\n",
       " 'Thyroid disorder',\n",
       " 'Wound secretion',\n",
       " 'Pleurisy',\n",
       " 'Angiopathy',\n",
       " 'Blood glucose decreased',\n",
       " 'Lung disorder',\n",
       " 'Prostate cancer',\n",
       " 'Lymphadenopathy',\n",
       " 'Acute myeloid leukaemia',\n",
       " 'Blindness unilateral',\n",
       " 'Thirst',\n",
       " 'Myopathy',\n",
       " 'Blood bilirubin increased',\n",
       " 'Ventricular hypertrophy',\n",
       " 'Gastrointestinal motility disorder',\n",
       " 'Ataxia',\n",
       " 'Blood glucose fluctuation',\n",
       " 'Gallbladder disorder',\n",
       " 'Blood creatine phosphokinase increased',\n",
       " 'Fibrosis',\n",
       " 'Upper limb fracture',\n",
       " 'Atrial flutter',\n",
       " 'Muscle twitching',\n",
       " 'Lower limb fracture',\n",
       " 'Injection site swelling',\n",
       " 'Orthopnoea',\n",
       " 'Frequent bowel movements',\n",
       " 'Abdominal pain lower',\n",
       " 'Drug administration error',\n",
       " 'Sinus disorder',\n",
       " 'Haematemesis',\n",
       " 'Cardiovascular disorder',\n",
       " 'Jaw disorder',\n",
       " 'Hepatitis',\n",
       " 'International normalised ratio increased',\n",
       " 'Febrile neutropenia',\n",
       " 'Pain of skin',\n",
       " 'Disability',\n",
       " 'Periodontitis',\n",
       " 'Renal tubular necrosis',\n",
       " 'Colon cancer',\n",
       " 'Dermatitis contact',\n",
       " 'Clostridium difficile colitis',\n",
       " 'Pregnancy',\n",
       " 'Hangover',\n",
       " 'Irritable bowel syndrome',\n",
       " 'Type 2 diabetes mellitus',\n",
       " 'C-reactive protein increased',\n",
       " 'Lower gastrointestinal haemorrhage',\n",
       " 'Lip swelling',\n",
       " 'Blood urine present',\n",
       " 'Cushingoid',\n",
       " 'Gastritis erosive',\n",
       " 'Status epilepticus',\n",
       " 'Cyanosis',\n",
       " 'Glycosylated haemoglobin increased',\n",
       " 'Kidney infection',\n",
       " 'Rash erythematous',\n",
       " 'Haemolytic anaemia',\n",
       " 'Hypernatraemia',\n",
       " 'Vaginal haemorrhage',\n",
       " 'Neoplasm malignant',\n",
       " 'Spinal cord compression',\n",
       " 'Acidosis',\n",
       " 'Anaphylactic shock',\n",
       " 'Heart rate abnormal',\n",
       " 'Paranoia',\n",
       " 'Haemoglobin abnormal',\n",
       " 'Anorectal discomfort',\n",
       " 'Injection site discolouration',\n",
       " 'Diabetic retinopathy',\n",
       " 'Neoplasm progression',\n",
       " 'Gingival pain',\n",
       " 'Gamma-glutamyltransferase increased',\n",
       " 'Skin hypertrophy',\n",
       " 'Abscess limb',\n",
       " 'Supraventricular tachycardia',\n",
       " 'Lymphoma',\n",
       " 'Blood urea increased',\n",
       " \"Dementia Alzheimer's type\",\n",
       " 'Gastric polyps',\n",
       " 'Ventricular extrasystoles',\n",
       " 'Eyelid ptosis',\n",
       " 'Subarachnoid haemorrhage',\n",
       " 'Agranulocytosis',\n",
       " 'Carotid artery occlusion',\n",
       " 'Dilatation atrial',\n",
       " 'Osteonecrosis',\n",
       " 'Hypophosphataemia',\n",
       " 'Obsessive-compulsive disorder',\n",
       " 'Ileus',\n",
       " 'Protein urine present',\n",
       " 'Dyspnoea paroxysmal nocturnal',\n",
       " 'Adrenal insufficiency',\n",
       " 'Intentional drug misuse',\n",
       " 'Diarrhoea haemorrhagic',\n",
       " \"Non-Hodgkin's lymphoma\",\n",
       " 'Grand mal convulsion',\n",
       " 'Leukaemia',\n",
       " 'Hepatic neoplasm',\n",
       " 'Diabetes mellitus inadequate control',\n",
       " 'Extrapyramidal disorder',\n",
       " 'Tooth discolouration',\n",
       " 'Diabetic coma',\n",
       " 'Ventricular dysfunction',\n",
       " 'Neuroleptic malignant syndrome',\n",
       " 'Application site erythema',\n",
       " 'Lactose intolerance',\n",
       " 'Angina unstable',\n",
       " 'Anaesthetic complication',\n",
       " 'Clostridial infection',\n",
       " 'Pulmonary haemorrhage',\n",
       " 'Right ventricular failure',\n",
       " 'Abnormal sensation in eye',\n",
       " 'Multiple allergies',\n",
       " 'Lung neoplasm',\n",
       " 'Performance status decreased',\n",
       " 'Intraocular pressure increased',\n",
       " 'Tachyarrhythmia',\n",
       " 'Sinus arrhythmia',\n",
       " 'Polycythaemia',\n",
       " 'Sudden cardiac death',\n",
       " 'Chromatopsia',\n",
       " 'Hepatitis cholestatic',\n",
       " 'Gingival infection',\n",
       " 'Idiopathic thrombocytopenic purpura',\n",
       " 'Cytolytic hepatitis',\n",
       " 'Anorexia',\n",
       " 'Drug toxicity',\n",
       " 'Neuropathy',\n",
       " 'Skin laceration',\n",
       " 'Mucosal inflammation',\n",
       " 'Face oedema',\n",
       " 'Procedural pain',\n",
       " 'Tenderness',\n",
       " 'Mass',\n",
       " 'Cholecystitis',\n",
       " 'Cholelithiasis',\n",
       " 'Liver disorder',\n",
       " 'Hypoalbuminaemia',\n",
       " 'Hepatitis C',\n",
       " 'Hepatotoxicity',\n",
       " 'Metastases to liver',\n",
       " 'Stevens-Johnson syndrome',\n",
       " 'Dermatitis exfoliative',\n",
       " 'Toxic epidermal necrolysis',\n",
       " 'Rhinitis allergic',\n",
       " 'Systemic lupus erythematosus',\n",
       " 'Immune system disorder',\n",
       " 'Bacterial infection',\n",
       " 'Fungal infection',\n",
       " 'Abscess',\n",
       " 'Device related infection',\n",
       " 'Wound infection',\n",
       " 'Lung infection',\n",
       " 'Bacteraemia',\n",
       " 'Chronic sinusitis',\n",
       " 'Rhinitis',\n",
       " 'Herpes simplex',\n",
       " 'Joint injury',\n",
       " 'Limb injury',\n",
       " 'Femoral neck fracture',\n",
       " 'Femur fracture',\n",
       " 'Foot fracture',\n",
       " 'Spinal compression fracture',\n",
       " 'Nephropathy toxic',\n",
       " 'Haemothorax',\n",
       " 'Laceration',\n",
       " 'Back injury',\n",
       " 'Head injury',\n",
       " 'Cardiac murmur',\n",
       " 'Electrocardiogram abnormal',\n",
       " 'Pulse absent',\n",
       " 'Blood lactate dehydrogenase increased',\n",
       " 'Red blood cell count decreased',\n",
       " 'Neutrophil count increased',\n",
       " 'Laboratory test abnormal',\n",
       " 'Blood triglycerides increased',\n",
       " 'Blood albumin decreased',\n",
       " 'Protein total decreased',\n",
       " 'Malnutrition',\n",
       " 'Electrolyte imbalance',\n",
       " 'Tumour lysis syndrome',\n",
       " 'Hypovolaemia',\n",
       " 'Metabolic disorder',\n",
       " 'Bone lesion',\n",
       " 'Spinal disorder',\n",
       " 'Myositis',\n",
       " 'Trismus',\n",
       " 'Intervertebral disc disorder',\n",
       " 'Scoliosis',\n",
       " 'Musculoskeletal chest pain',\n",
       " 'Fistula',\n",
       " 'Groin pain',\n",
       " 'Breast cancer',\n",
       " 'Breast cancer female',\n",
       " 'Adenocarcinoma',\n",
       " 'Brain neoplasm',\n",
       " 'Renal cyst',\n",
       " 'Ovarian cyst',\n",
       " 'Ovarian cancer',\n",
       " 'Lung neoplasm malignant',\n",
       " 'Basal cell carcinoma',\n",
       " 'Skin cancer',\n",
       " 'Transient ischaemic attack',\n",
       " 'Sinus headache',\n",
       " 'Dementia',\n",
       " 'Cognitive disorder',\n",
       " \"Parkinson's disease\",\n",
       " 'Coma',\n",
       " 'Motor dysfunction',\n",
       " 'Agitation',\n",
       " 'Unresponsive to stimuli',\n",
       " 'Hyperaesthesia',\n",
       " 'Peroneal nerve palsy',\n",
       " 'Sleep apnoea syndrome',\n",
       " 'Hallucination',\n",
       " 'Anuria',\n",
       " 'Oliguria',\n",
       " 'Nocturia',\n",
       " 'Breast mass',\n",
       " 'Vulvovaginal pruritus',\n",
       " 'Obstructive airways disorder',\n",
       " 'Acute respiratory distress syndrome',\n",
       " 'Pneumothorax',\n",
       " 'Apnoea',\n",
       " 'Respiratory arrest',\n",
       " 'Aspiration',\n",
       " 'Pulmonary mass',\n",
       " 'Pharyngeal erythema',\n",
       " 'Dermatitis bullous',\n",
       " 'Skin disorder',\n",
       " 'Dermatitis',\n",
       " 'Skin exfoliation',\n",
       " 'Psoriasis',\n",
       " 'Rash generalised',\n",
       " 'Rosacea',\n",
       " 'Arteriosclerosis',\n",
       " 'Blood pressure fluctuation',\n",
       " 'Embolism venous',\n",
       " 'Peripheral vascular disorder',\n",
       " 'Vitreous floaters',\n",
       " 'Iron deficiency anaemia',\n",
       " 'Microcytic anaemia',\n",
       " 'Normochromic normocytic anaemia',\n",
       " 'Aplastic anaemia',\n",
       " 'Increased tendency to bruise',\n",
       " 'Petechiae',\n",
       " 'Purpura',\n",
       " 'Blood disorder',\n",
       " 'Sickle cell anaemia',\n",
       " 'Haemolysis',\n",
       " 'Jaundice neonatal',\n",
       " 'Acute leukaemia',\n",
       " 'Myelodysplastic syndrome',\n",
       " 'B-cell lymphoma',\n",
       " 'Heparin-induced thrombocytopenia',\n",
       " 'Hepatosplenomegaly',\n",
       " 'Lymphadenitis',\n",
       " 'Lymphoedema',\n",
       " 'Splenic infarction',\n",
       " 'Infectious mononucleosis',\n",
       " 'Lymphopenia',\n",
       " 'Neutropenic infection',\n",
       " 'Neutropenic sepsis',\n",
       " 'Atrioventricular block',\n",
       " 'Cardiac flutter',\n",
       " 'Arrhythmia supraventricular',\n",
       " 'Atrial tachycardia',\n",
       " 'Supraventricular extrasystoles',\n",
       " 'Torsade de pointes',\n",
       " 'Heart disease congenital',\n",
       " 'Orthostatic intolerance',\n",
       " 'Dizziness postural',\n",
       " 'Haemoptysis',\n",
       " 'Aortic valve incompetence',\n",
       " 'Aortic valve sclerosis',\n",
       " 'Aortic valve stenosis',\n",
       " 'Pulmonary valve incompetence',\n",
       " 'Arteriosclerosis coronary artery',\n",
       " 'Coronary artery thrombosis',\n",
       " 'Arteriospasm coronary',\n",
       " 'Localised oedema',\n",
       " 'Acute pulmonary oedema',\n",
       " 'Cardiomyopathy',\n",
       " 'Ischaemic cardiomyopathy',\n",
       " 'Diastolic dysfunction',\n",
       " 'Left ventricular dysfunction',\n",
       " 'Ventricular hypokinesia',\n",
       " 'Myocarditis',\n",
       " 'Pericarditis',\n",
       " 'Peripheral swelling',\n",
       " 'Congenital anomaly',\n",
       " 'Syndactyly',\n",
       " 'Craniosynostosis',\n",
       " 'Pectus excavatum',\n",
       " 'Congenital hydronephrosis',\n",
       " 'Fanconi syndrome',\n",
       " 'Cryptorchism',\n",
       " 'Deafness bilateral',\n",
       " 'Deafness neurosensory',\n",
       " 'Hearing impaired',\n",
       " 'Mastoiditis',\n",
       " 'Otitis media',\n",
       " 'Diabetic complication',\n",
       " 'Diabetic ketoacidosis',\n",
       " 'Diabetic neuropathy',\n",
       " 'Diabetic nephropathy',\n",
       " 'Amenorrhoea',\n",
       " 'Gestational diabetes',\n",
       " 'Type 1 diabetes mellitus',\n",
       " 'Hyperprolactinaemia',\n",
       " 'Galactorrhoea',\n",
       " 'Polydipsia',\n",
       " 'Hyperparathyroidism',\n",
       " 'Calcium deficiency',\n",
       " 'Goitre',\n",
       " \"Basedow's disease\",\n",
       " 'Exophthalmos',\n",
       " 'Corneal abrasion',\n",
       " 'Dacryostenosis acquired',\n",
       " 'Dry eye',\n",
       " \"Sjogren's syndrome\",\n",
       " 'Eye haemorrhage',\n",
       " 'Punctate keratitis',\n",
       " 'Iridocyclitis',\n",
       " 'Eye discharge',\n",
       " 'Eye pruritus',\n",
       " 'Optic neuritis',\n",
       " 'Macular oedema',\n",
       " 'Eye injury',\n",
       " 'Miosis',\n",
       " 'Pupils unequal',\n",
       " 'Photophobia',\n",
       " 'Optic atrophy',\n",
       " 'Papilloedema',\n",
       " 'Retinal detachment',\n",
       " 'Vitreous haemorrhage',\n",
       " 'Retinal haemorrhage',\n",
       " 'Blindness transient',\n",
       " 'Visual disturbance',\n",
       " 'Inguinal hernia',\n",
       " 'Proctalgia',\n",
       " 'Colonic polyp',\n",
       " 'Alveolar osteitis',\n",
       " 'Gingival recession',\n",
       " 'Gingivitis',\n",
       " 'Gingival abscess',\n",
       " 'Food poisoning',\n",
       " 'Gastrointestinal stoma complication',\n",
       " \"Barrett's oesophagus\",\n",
       " 'Hyperchlorhydria',\n",
       " 'Intestinal haemorrhage',\n",
       " 'Helicobacter gastritis',\n",
       " 'Abdominal abscess',\n",
       " 'Gastrointestinal infection',\n",
       " 'Clostridium colitis',\n",
       " 'Cytomegalovirus colitis',\n",
       " 'Oesophageal candidiasis',\n",
       " 'Fungal peritonitis',\n",
       " 'Peritonitis bacterial',\n",
       " 'Colitis ischaemic',\n",
       " 'Colitis ulcerative',\n",
       " 'Caecitis',\n",
       " \"Crohn's disease\",\n",
       " 'Duodenitis',\n",
       " 'Enteritis',\n",
       " 'Enterocolitis',\n",
       " 'Inflammatory bowel disease',\n",
       " 'Post procedural diarrhoea',\n",
       " 'Colonic pseudo-obstruction',\n",
       " 'Impaired gastric emptying',\n",
       " 'Ileus paralytic',\n",
       " 'Gastrointestinal sounds abnormal',\n",
       " 'Eructation',\n",
       " 'Abnormal faeces',\n",
       " 'Faeces discoloured',\n",
       " 'Abdominal rigidity',\n",
       " 'Abdominal tenderness',\n",
       " 'Gastrointestinal pain',\n",
       " 'Oesophageal pain',\n",
       " 'Breath odour',\n",
       " 'Early satiety',\n",
       " 'Hyperphagia',\n",
       " 'Pelvic discomfort',\n",
       " 'Regurgitation',\n",
       " 'Volvulus',\n",
       " 'Oesophageal stenosis',\n",
       " 'Duodenal ulcer',\n",
       " 'Duodenal ulcer perforation',\n",
       " 'Intestinal perforation',\n",
       " 'Intestinal ulcer',\n",
       " 'Large intestine perforation',\n",
       " 'Small intestinal perforation',\n",
       " 'Oesophageal ulcer',\n",
       " 'Peptic ulcer',\n",
       " 'Intestinal ischaemia',\n",
       " 'Malabsorption',\n",
       " 'Oesophageal carcinoma',\n",
       " 'Pancreatic carcinoma',\n",
       " 'Chapped lips',\n",
       " 'Cheilitis',\n",
       " 'Pharyngitis',\n",
       " 'Odynophagia',\n",
       " 'Hypoaesthesia oral',\n",
       " 'Gingival swelling',\n",
       " 'Oedema mouth',\n",
       " 'Retroperitoneal haemorrhage',\n",
       " 'Salivary hypersecretion',\n",
       " 'Glossitis',\n",
       " 'Tongue disorder',\n",
       " 'Markedly reduced dietary intake',\n",
       " 'Catheter related infection',\n",
       " 'Catheter site infection',\n",
       " 'Infusion site infection',\n",
       " 'Infusion site swelling',\n",
       " 'Injection site abscess',\n",
       " 'Injection site haematoma',\n",
       " 'Injection site haemorrhage',\n",
       " 'Feeling of body temperature change',\n",
       " 'Peripheral coldness',\n",
       " 'Temperature intolerance',\n",
       " 'Adhesion',\n",
       " 'Bloody discharge',\n",
       " 'Developmental delay',\n",
       " 'Disease recurrence',\n",
       " 'Night sweats',\n",
       " 'Organ failure',\n",
       " 'Pallor',\n",
       " 'Yellow skin',\n",
       " 'Hernia',\n",
       " 'Granuloma',\n",
       " 'Mucous membrane disorder',\n",
       " 'Polyp',\n",
       " 'Capillary leak syndrome',\n",
       " 'Generalised oedema',\n",
       " 'Breakthrough pain',\n",
       " 'Discomfort',\n",
       " 'Facial pain',\n",
       " 'Flank pain',\n",
       " 'Non-cardiac chest pain',\n",
       " 'Product taste abnormal',\n",
       " 'Drug effect increased',\n",
       " 'Therapeutic response decreased',\n",
       " 'Therapeutic response unexpected',\n",
       " 'Cyst',\n",
       " 'Nodule',\n",
       " 'Necrosis',\n",
       " 'Atrophy',\n",
       " 'Biliary colic',\n",
       " 'Cholangitis',\n",
       " 'Biliary tract disorder',\n",
       " 'Cholecystitis acute',\n",
       " 'Cholecystitis chronic',\n",
       " 'Cholestasis',\n",
       " 'Liver injury',\n",
       " 'Hepatic function abnormal',\n",
       " 'Acute hepatic failure',\n",
       " 'Hepatic fibrosis',\n",
       " 'Liver abscess',\n",
       " 'Portal vein thrombosis',\n",
       " 'Venoocclusive liver disease',\n",
       " 'Autoimmune hepatitis',\n",
       " 'Hepatic necrosis',\n",
       " 'Hepatitis fulminant',\n",
       " 'Bronchospasm',\n",
       " 'Erythema nodosum',\n",
       " 'Serum sickness',\n",
       " 'Type IV hypersensitivity reaction',\n",
       " 'Reaction to drug excipients',\n",
       " 'Red man syndrome',\n",
       " 'Angioedema',\n",
       " 'Dermatitis atopic',\n",
       " 'Seasonal allergy',\n",
       " 'Autoimmune disorder',\n",
       " 'Guillain-Barre syndrome',\n",
       " 'Polymyalgia rheumatica',\n",
       " 'Amyloidosis',\n",
       " 'Glomerulonephritis',\n",
       " 'Graft versus host disease',\n",
       " 'Transplant rejection',\n",
       " 'Vasculitis',\n",
       " 'Immunodeficiency',\n",
       " 'Immunosuppression',\n",
       " 'Post herpetic neuralgia',\n",
       " 'Gangrene',\n",
       " 'Vaginitis bacterial',\n",
       " 'Enterococcal infection',\n",
       " 'Helicobacter infection',\n",
       " 'Pseudomonas infection',\n",
       " 'Cellulitis staphylococcal',\n",
       " 'Staphylococcal bacteraemia',\n",
       " 'Streptococcal sepsis',\n",
       " 'Bronchopulmonary aspergillosis',\n",
       " 'Skin candida',\n",
       " 'Vulvovaginal mycotic infection',\n",
       " 'Brain abscess',\n",
       " 'Meningitis',\n",
       " 'Vaginal infection',\n",
       " 'Opportunistic infection',\n",
       " 'Postoperative wound infection',\n",
       " 'Bronchiectasis',\n",
       " 'Bronchopneumonia',\n",
       " 'Lobar pneumonia',\n",
       " 'Necrotising fasciitis',\n",
       " 'Furuncle',\n",
       " 'Paronychia',\n",
       " 'Subcutaneous abscess',\n",
       " 'Acute sinusitis',\n",
       " 'Laryngitis',\n",
       " 'Pyelonephritis',\n",
       " 'Pyelonephritis acute',\n",
       " 'Tuberculosis',\n",
       " 'Adenovirus infection',\n",
       " 'Cytomegalovirus infection',\n",
       " 'Cytomegalovirus viraemia',\n",
       " 'Genital herpes',\n",
       " 'Progressive multifocal leukoencephalopathy',\n",
       " 'Viral upper respiratory tract infection',\n",
       " 'Fracture',\n",
       " 'Joint dislocation',\n",
       " 'Stress fracture',\n",
       " 'Joint sprain',\n",
       " 'Ankle fracture',\n",
       " 'Facial bones fracture',\n",
       " 'Thoracic vertebral fracture',\n",
       " 'Humerus fracture',\n",
       " 'Radius fracture',\n",
       " 'Wrist fracture',\n",
       " 'Acute generalised exanthematous pustulosis',\n",
       " 'Neurotoxicity',\n",
       " 'Brain herniation',\n",
       " 'Muscle injury',\n",
       " 'Muscle strain',\n",
       " 'Tendonitis',\n",
       " 'Nerve compression',\n",
       " 'Nerve injury',\n",
       " 'Arthropod bite',\n",
       " 'Excoriation',\n",
       " 'Scratch',\n",
       " 'Accidental overdose',\n",
       " 'Phlebitis',\n",
       " 'Medical device complication',\n",
       " 'Graft thrombosis',\n",
       " 'Post procedural complication',\n",
       " 'Post procedural haemorrhage',\n",
       " 'Postoperative wound complication',\n",
       " 'Procedural complication',\n",
       " 'Electrocardiogram ST segment depression',\n",
       " 'Electrocardiogram ST segment elevation',\n",
       " 'Electrocardiogram T wave abnormal',\n",
       " 'Pulse pressure decreased',\n",
       " 'Blood pressure abnormal',\n",
       " 'Blood pressure systolic increased',\n",
       " 'Blood thyroid stimulating hormone increased',\n",
       " 'Blood testosterone decreased',\n",
       " 'Troponin increased',\n",
       " 'Lipase increased',\n",
       " 'Occult blood positive',\n",
       " 'Activated partial thromboplastin time prolonged',\n",
       " 'International normalised ratio abnormal',\n",
       " 'International normalised ratio decreased',\n",
       " 'Haematocrit increased',\n",
       " 'CD4 lymphocytes decreased',\n",
       " 'Eosinophil count increased',\n",
       " 'Lymphocyte count decreased',\n",
       " 'Neutrophil count decreased',\n",
       " 'Neutrophil percentage increased',\n",
       " 'Ammonia increased',\n",
       " 'Bilirubin conjugated increased',\n",
       " 'Hepatic enzyme abnormal',\n",
       " 'Transaminases increased',\n",
       " 'Antinuclear antibody increased',\n",
       " 'Antinuclear antibody positive',\n",
       " 'Blood test abnormal',\n",
       " 'High density lipoprotein decreased',\n",
       " 'Blood gases abnormal',\n",
       " 'Blood glucose abnormal',\n",
       " 'Blood uric acid increased',\n",
       " 'Blood culture positive',\n",
       " 'Body temperature decreased',\n",
       " 'Body temperature increased',\n",
       " 'Breath sounds abnormal',\n",
       " 'Respiratory rate decreased',\n",
       " ...]"
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "SEs_final"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Drug1</th>\n",
       "      <th>Drug2</th>\n",
       "      <th>PSE</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>Temazepam</td>\n",
       "      <td>sildenafil</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>Bumetanide</td>\n",
       "      <td>Oxytocin</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>POLYETHYLENE GLYCOL 3350</td>\n",
       "      <td>Hydroxychloroquine</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>Tamoxifen</td>\n",
       "      <td>Prednisone</td>\n",
       "      <td>Diarrhoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Temazepam</td>\n",
       "      <td>sildenafil</td>\n",
       "      <td>Diarrhoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36784786</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Pulmonary embolism</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36784787</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Cough</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36784788</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Rash</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36784789</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Alopecia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>36784790</th>\n",
       "      <td>Ketoprofen</td>\n",
       "      <td>montelukast</td>\n",
       "      <td>Hypertension</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>36784791 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                             Drug1               Drug2                 PSE\n",
       "0                        Temazepam          sildenafil          Arthralgia\n",
       "1                       Bumetanide            Oxytocin          Arthralgia\n",
       "2         POLYETHYLENE GLYCOL 3350  Hydroxychloroquine          Arthralgia\n",
       "3                        Tamoxifen          Prednisone           Diarrhoea\n",
       "4                        Temazepam          sildenafil           Diarrhoea\n",
       "...                            ...                 ...                 ...\n",
       "36784786                Ketoprofen         montelukast  Pulmonary embolism\n",
       "36784787                Ketoprofen         montelukast               Cough\n",
       "36784788                Ketoprofen         montelukast                Rash\n",
       "36784789                Ketoprofen         montelukast            Alopecia\n",
       "36784790                Ketoprofen         montelukast        Hypertension\n",
       "\n",
       "[36784791 rows x 3 columns]"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "#cleaned TS with selected PSEs\n",
    "ts_final = ts.loc[ts['PSE'].isin(SEs_final)].reset_index(drop=True) \n",
    "ts_final"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "3558 1918\n"
     ]
    }
   ],
   "source": [
    "# list of every drug in TWOSIDES\n",
    "tmp = ts['Drug1'].unique().tolist() + ts['Drug2'].unique().tolist()\n",
    "ts_drugs = []\n",
    "[ts_drugs.append(drug) for drug in tmp if drug not in ts_drugs]\n",
    "print(len(tmp), len(ts_drugs))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "1430"
      ]
     },
     "execution_count": 22,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# SIDER's drug list\n",
    "drugs = pd.read_csv('../data/drug_names.tsv', sep='\\t')\n",
    "drug_names = drugs['name'].tolist()\n",
    "len(drug_names)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "metadata": {},
   "outputs": [],
   "source": [
    "# Makes lower case list of drug names\n",
    "ts_drugs_lower = [] \n",
    "for drug in ts_drugs:\n",
    "    ts_drugs_lower.append(drug.lower())\n",
    "\n",
    "drug_names_lower = []\n",
    "for drug in drug_names:\n",
    "    drug_names_lower.append(drug.lower()) "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "953 965\n"
     ]
    }
   ],
   "source": [
    "train_drugs = []  # Drugs in SIDER, will be used to build the GNN \n",
    "eval_drugs = []   # Drugs not in SIDER, will be used to evaluate the GNN \n",
    "\n",
    "for index, drug in enumerate(ts_drugs_lower):\n",
    "    if drug in drug_names_lower:\n",
    "        train_drugs.append(ts_drugs[index])\n",
    "    else:\n",
    "        eval_drugs.append(ts_drugs[index])\n",
    "print(len(train_drugs),len(eval_drugs))\n",
    "        "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "d4dc4b08500a4e46b346e7248d86027b",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "HBox(children=(HTML(value=''), FloatProgress(value=0.0, max=36784791.0), HTML(value='')))"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "Wall time: 31min 19s\n"
     ]
    }
   ],
   "source": [
    "%%time\n",
    "\n",
    "train_list = []  # Drug 1 & 2 are in SIDER => model building\n",
    "asses_list = []  # Drug 1 or 2 are in SIDER => model assesment \n",
    "eval_list = []   # Drug 1 & 2 are not in SIDER => model evaluation\n",
    "\n",
    "for i in tqdm(range(len(ts_final))): \n",
    "    row =  {'Drug1': ts_final['Drug1'][i], \n",
    "            'Drug2': ts_final['Drug2'][i], \n",
    "            'PSE': ts_final['PSE'][i]} \n",
    "\n",
    "    if ts_final['Drug1'][i] in train_drugs and ts_final['Drug2'][i] in train_drugs:\n",
    "        train_list.append(row)       \n",
    "    elif ts_final['Drug1'][i] in eval_drugs and ts_final['Drug2'][i] in eval_drugs:\n",
    "        eval_list.append(row)\n",
    "    else:\n",
    "        asses_list.append(row)\n",
    "\n",
    "        \n",
    "ts_train = pd.DataFrame.from_dict(train_list)\n",
    "ts_asses = pd.DataFrame.from_dict(asses_list)\n",
    "ts_eval = pd.DataFrame.from_dict(eval_list)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.6007351516554763 0.345553410919203 0.053711437425320696\n"
     ]
    }
   ],
   "source": [
    "print(len(ts_train)/len(ts_final),len(ts_asses)/len(ts_final),len(ts_eval)/len(ts_final))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "ts_train.to_csv('../data/TWOSIDE-train-PSE-3347.csv', index=False, sep = ',')\n",
    "ts_asses.to_csv('../data/TWOSIDE-assesment-PSE-3347.csv', index=False, sep = ',')\n",
    "ts_eval.to_csv('../data/TWOSIDE-evaluation-PSE-3347.csv', index=False, sep = ',')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>GraphID</th>\n",
       "      <th>DrugID</th>\n",
       "      <th>Name</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1</td>\n",
       "      <td>85</td>\n",
       "      <td>carnitine</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>2</td>\n",
       "      <td>119</td>\n",
       "      <td>gamma-aminobutyric</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>3</td>\n",
       "      <td>137</td>\n",
       "      <td>5-aminolevulinic</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>4</td>\n",
       "      <td>143</td>\n",
       "      <td>leucovorin</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>5</td>\n",
       "      <td>146</td>\n",
       "      <td>5-methyltetrahydrofolate</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1425</th>\n",
       "      <td>1426</td>\n",
       "      <td>56603655</td>\n",
       "      <td>pegaptanib</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1426</th>\n",
       "      <td>1427</td>\n",
       "      <td>56842239</td>\n",
       "      <td>n-3</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1427</th>\n",
       "      <td>1428</td>\n",
       "      <td>70683024</td>\n",
       "      <td>x</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1428</th>\n",
       "      <td>1429</td>\n",
       "      <td>70695640</td>\n",
       "      <td>colestyramine</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1429</th>\n",
       "      <td>1430</td>\n",
       "      <td>71306834</td>\n",
       "      <td>K779</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>1430 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      GraphID    DrugID                      Name\n",
       "0           1        85                 carnitine\n",
       "1           2       119        gamma-aminobutyric\n",
       "2           3       137          5-aminolevulinic\n",
       "3           4       143                leucovorin\n",
       "4           5       146  5-methyltetrahydrofolate\n",
       "...       ...       ...                       ...\n",
       "1425     1426  56603655                pegaptanib\n",
       "1426     1427  56842239                       n-3\n",
       "1427     1428  70683024                         x\n",
       "1428     1429  70695640             colestyramine\n",
       "1429     1430  71306834                      K779\n",
       "\n",
       "[1430 rows x 3 columns]"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ts_train = pd.read_csv('../data/TWOSIDE-train-PSE-3347.csv', sep=',')\n",
    "drugid = pd.read_csv('../data/DrugID.csv', sep = ',')\n",
    "drugid\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'carnitine': 85,\n",
       " 'gamma-aminobutyric': 119,\n",
       " '5-aminolevulinic': 137,\n",
       " 'leucovorin': 143,\n",
       " '5-methyltetrahydrofolate': 146,\n",
       " 'pge2': 158,\n",
       " 'prostacyclin': 159,\n",
       " 'prostaglandin': 160,\n",
       " 'acetate': 175,\n",
       " 'acetylcholine': 187,\n",
       " 'adenosine': 191,\n",
       " 'glucose': 24748,\n",
       " 'pge1': 214,\n",
       " 'ammonia': 222,\n",
       " 'arginine': 232,\n",
       " 'benzyl': 2345,\n",
       " 'betaine': 247,\n",
       " 'calcium': 6116,\n",
       " 'graphene': 297,\n",
       " 'chloramphenicol': 298,\n",
       " 'bile': 303,\n",
       " 'choline': 20585,\n",
       " 'citric': 311,\n",
       " 'chloride': 312,\n",
       " 'salicylate': 338,\n",
       " 'd-cycloserine': 401,\n",
       " 'bupropion': 444,\n",
       " 'estradiol': 3267,\n",
       " 'mannitol': 453,\n",
       " 'eaca': 564,\n",
       " 'n-acetylcysteine': 581,\n",
       " 'cytarabine': 596,\n",
       " 'mesna': 598,\n",
       " 'lactate': 612,\n",
       " 'dmso': 679,\n",
       " 'dopamine': 681,\n",
       " 'estrone': 698,\n",
       " 'oestrogen': 699,\n",
       " 'monoethanolamine': 700,\n",
       " 'lindane': 727,\n",
       " 'glutamine': 738,\n",
       " 'glycine': 750,\n",
       " 'glycerol': 10482134,\n",
       " 'bicarbonate': 767,\n",
       " 'lmwh': 772,\n",
       " 'histamine': 774,\n",
       " 'quinol': 785,\n",
       " 'potassium': 24450,\n",
       " 'kanamycin': 815,\n",
       " 'epinephrine': 838,\n",
       " 'thyroxine': 853,\n",
       " 'triiodothyronine': 861,\n",
       " 'magnesium': 888,\n",
       " 'melatonin': 896,\n",
       " 'sodium': 11254352,\n",
       " 'niacin': 937,\n",
       " 'nicotine': 942,\n",
       " 'nitrite': 946,\n",
       " 'nitrous': 948,\n",
       " 'norepinephrine': 951,\n",
       " 'hydroxyl': 961,\n",
       " 'phosphate': 1003,\n",
       " 'pyrazinamide': 1046,\n",
       " 'pyridoxine': 1054,\n",
       " 'quinidine': 1065,\n",
       " 'retinol': 1071,\n",
       " 'thiosulfate': 1084,\n",
       " 'tetrahydrobiopterin': 1125,\n",
       " 'thiamine': 1130,\n",
       " 'thymidine': 1134,\n",
       " 'methamphetamine': 1206,\n",
       " 'naproxen': 1301,\n",
       " 'cladribine': 1546,\n",
       " 'doxorubicin': 1690,\n",
       " '4-ap': 1727,\n",
       " 'phenytoin': 1775,\n",
       " 'methazolamide': 1798,\n",
       " '5-azacytidine': 1805,\n",
       " 'methylprednisolone': 4159,\n",
       " 'abacavir': 1971,\n",
       " 'amphotericin': 1972,\n",
       " 'acebutolol': 1978,\n",
       " 'acetaminophen': 1983,\n",
       " 'acetazolamide': 1986,\n",
       " 'acetohydroxamic': 1990,\n",
       " 'methacholine': 1993,\n",
       " 'actinomycin': 2019,\n",
       " 'spectinomycin': 2021,\n",
       " 'acyclovir': 2022,\n",
       " 'albendazole': 2082,\n",
       " 'salbutamol': 2083,\n",
       " 'almeta': 2085,\n",
       " 'alendronate': 2088,\n",
       " 'alfuzosin': 2092,\n",
       " 'allopurinol': 2094,\n",
       " 'alosetron': 2099,\n",
       " 'alprazolam': 2118,\n",
       " 'hexamethylmelamine': 2123,\n",
       " 'amantadine': 2130,\n",
       " 'amcinonide': 2133,\n",
       " 'diatrizoate': 2140,\n",
       " 'amifostine': 2141,\n",
       " 'amikacin': 2142,\n",
       " 'aminoglutethimide': 2145,\n",
       " 'p-aminohippurate': 2148,\n",
       " 'theophylline': 2153,\n",
       " 'amiodarone': 2156,\n",
       " 'amisulpride': 2159,\n",
       " 'amitriptyline': 2160,\n",
       " 'amlexanox': 2161,\n",
       " 'amlodipine': 60496,\n",
       " 'amobarbital': 2163,\n",
       " 'amorolfine': 2168,\n",
       " 'amoxapine': 2170,\n",
       " 'amoxicillin': 2171,\n",
       " 'ampicillin': 2173,\n",
       " 'amprenavir': 2177,\n",
       " 'amsacrine': 2179,\n",
       " 'anagrelide': 2182,\n",
       " 'anastrozole': 2187,\n",
       " 'apomorphine': 2215,\n",
       " 'apraclonidine': 2216,\n",
       " 'argatroban': 2232,\n",
       " 'aspirin': 2244,\n",
       " 'atenolol': 2249,\n",
       " 'atorvastatin': 2250,\n",
       " 'azathioprine': 2265,\n",
       " 'azelaic': 2266,\n",
       " 'azelastine': 2267,\n",
       " 'azithromycin': 2269,\n",
       " 'aztreonam': 2274,\n",
       " 'baclofen': 2284,\n",
       " 'beclomethasone': 62965,\n",
       " 'benazepril': 2311,\n",
       " 'bendrofluazide': 2315,\n",
       " 'benzocaine': 2337,\n",
       " 'benzphetamine': 2341,\n",
       " 'benztropine': 2344,\n",
       " 'penicillin': 4730,\n",
       " 'bepotastine': 2350,\n",
       " 'bepridil': 2351,\n",
       " 'betahistine': 2366,\n",
       " 'dexamethasone': 3003,\n",
       " 'betaxolol': 2369,\n",
       " 'bethanechol': 2370,\n",
       " 'bicalutamide': 2375,\n",
       " 'bisacodyl': 2391,\n",
       " 'bisoprolol': 2405,\n",
       " 'bretylium': 2431,\n",
       " 'brimonidine': 2435,\n",
       " 'bromazepam': 2441,\n",
       " 'bromhexine': 2442,\n",
       " 'bromocriptine': 2443,\n",
       " 'budesonide': 2462,\n",
       " 'bumetanide': 2471,\n",
       " 'bupivacaine': 2474,\n",
       " 'buprenorphine': 2476,\n",
       " 'buspirone': 2477,\n",
       " 'busulfan': 2478,\n",
       " 'butabarbital': 2479,\n",
       " 'butenafine': 2484,\n",
       " 'butorphanol': 2487,\n",
       " 'cabergoline': 2512,\n",
       " 'caffeine': 2519,\n",
       " 'verapamil': 2520,\n",
       " 'calcipotriol': 2522,\n",
       " '1,25(oh)2d3': 2524,\n",
       " 'candesartan': 2541,\n",
       " 'capreomycin': 2547,\n",
       " 'capsaicin': 2548,\n",
       " 'captopril': 2550,\n",
       " 'carbachol': 2551,\n",
       " 'carbamazepine': 2554,\n",
       " 'carbenicillin': 2559,\n",
       " 'carbidopa': 2563,\n",
       " 'carbinoxamine': 2564,\n",
       " 'carisoprodol': 2576,\n",
       " 'bcnu': 2578,\n",
       " 'carteolol': 2583,\n",
       " 'carvedilol': 2585,\n",
       " 'cefaclor': 2609,\n",
       " 'cefadroxil': 2610,\n",
       " 'cefazolin': 2617,\n",
       " 'cefepime': 2622,\n",
       " 'cefotaxime': 2631,\n",
       " 'cefoxitin': 2637,\n",
       " 'cefprozil': 2646,\n",
       " 'ceftazidime': 2650,\n",
       " 'cephem': 2654,\n",
       " 'ceftizoxime': 2655,\n",
       " 'ceftriaxone': 2656,\n",
       " 'cefuroxime': 47419,\n",
       " 'celecoxib': 2662,\n",
       " 'celiprolol': 2663,\n",
       " 'cephalexin': 2666,\n",
       " 'cefixime': 2675,\n",
       " 'cerivastatin': 2676,\n",
       " 'cetirizine': 2678,\n",
       " 'cevimeline': 2684,\n",
       " 'chlorambucil': 2708,\n",
       " 'chlordiazepoxide': 2712,\n",
       " 'chlorhexidine': 29089,\n",
       " 'chloroquine': 2719,\n",
       " 'thiazide': 2720,\n",
       " 'chlorpheniramine': 2725,\n",
       " 'chlorpromazine': 2726,\n",
       " 'chlorpropamide': 2727,\n",
       " 'chlorthalidone': 2732,\n",
       " 'chlorzoxazone': 2733,\n",
       " 'ciclopirox': 2749,\n",
       " 'cilazapril': 2751,\n",
       " 'cilostazol': 2754,\n",
       " 'cimetidine': 2756,\n",
       " 'cinoxacin': 2762,\n",
       " 'ciprofloxacin': 2764,\n",
       " 'cisplatin': 2767,\n",
       " 'citalopram': 2771,\n",
       " 'clemastine': 2781,\n",
       " 'clindamycin': 32603,\n",
       " 'clobazam': 2789,\n",
       " 'clobetasol': 32797,\n",
       " 'clobetasone': 2792,\n",
       " 'clofazimine': 2794,\n",
       " 'clomiphene': 2800,\n",
       " 'clomipramine': 2801,\n",
       " 'clonazepam': 2802,\n",
       " 'clonidine': 2803,\n",
       " 'clopidogrel': 2806,\n",
       " 'clorazepate': 2809,\n",
       " 'clotrimazole': 2812,\n",
       " 'clozapine': 2818,\n",
       " 'cocaine': 2826,\n",
       " 'codeine': 2828,\n",
       " 'colchicine': 2833,\n",
       " 'crotamiton': 2883,\n",
       " 'cyanocobalamin': 2891,\n",
       " 'cyclobenzaprine': 2895,\n",
       " 'cyclopentolate': 2905,\n",
       " 'cyclophosphamide': 2907,\n",
       " 'v': 2909,\n",
       " 'cyproheptadine': 2913,\n",
       " 'cyproterone': 3015,\n",
       " 'danazol': 2949,\n",
       " 'dantrolene': 2951,\n",
       " 'dapsone': 2955,\n",
       " 'anthracycline': 2958,\n",
       " 'deferiprone': 2972,\n",
       " 'deferoxamine': 2973,\n",
       " 'delta': 2978,\n",
       " 'desipramine': 2995,\n",
       " 'desoximetasone': 3000,\n",
       " 'amphetamine': 3007,\n",
       " 'dextromethorphan': 3008,\n",
       " 'dfmo': 3009,\n",
       " 'diazepam': 3016,\n",
       " 'diazoxide': 3019,\n",
       " 'diclofenac': 3032,\n",
       " 'dichlorphenamide': 3038,\n",
       " 'dicloxacillin': 3040,\n",
       " 'dicyclomine': 3042,\n",
       " 'didanosine': 3043,\n",
       " 'diethylenetriaminepentaacetic': 3053,\n",
       " 'diflorasone': 3056,\n",
       " 'diflunisal': 3059,\n",
       " 'epitopic': 3060,\n",
       " 'digoxin': 3062,\n",
       " 'dihydrocodeine': 3063,\n",
       " 'dihydroergotamine': 3066,\n",
       " 'diltiazem': 3075,\n",
       " 'dimercaprol': 3080,\n",
       " 'diphenhydramine': 3100,\n",
       " 'dipivefrin': 3105,\n",
       " 'dipyridamole': 3108,\n",
       " 'disopyramide': 3114,\n",
       " 'disulfiram': 3117,\n",
       " 'valproate': 3121,\n",
       " 'alpha-methyl-p-tyrosine': 3125,\n",
       " 'docetaxel': 3143,\n",
       " 'dolasetron': 3148,\n",
       " 'domperidone': 3151,\n",
       " 'donepezil': 3152,\n",
       " 'dorzolamide': 3154,\n",
       " 'dothiepin': 3155,\n",
       " 'doxapram': 3156,\n",
       " 'doxazosin': 3157,\n",
       " 'doxepin': 3158,\n",
       " 'droperidol': 3168,\n",
       " 'l-threo-dops': 3171,\n",
       " 'dyphylline': 3182,\n",
       " 'econazole': 3198,\n",
       " 'trabectedin': 3199,\n",
       " 'edrophonium': 3202,\n",
       " 'efavirenz': 3203,\n",
       " 'eicosapentaenoic': 3209,\n",
       " 'emedastine': 3219,\n",
       " 'cas': 443379,\n",
       " 'enflurane': 3226,\n",
       " 'epinastine': 3241,\n",
       " 'vitamin': 4812,\n",
       " 'ergonovine': 3250,\n",
       " 'ergotamine': 3251,\n",
       " 'erythromycin': 71469,\n",
       " 'monomycin': 3256,\n",
       " 'estazolam': 3261,\n",
       " 'estramustine': 18140,\n",
       " 'estriol': 3269,\n",
       " 'ethacrynic': 3278,\n",
       " 'ethambutol': 3279,\n",
       " 'ethosuximide': 3291,\n",
       " 'ethotoin': 3292,\n",
       " 'etidronate': 3305,\n",
       " 'etodolac': 3308,\n",
       " 'etoposide': 60668,\n",
       " 'famciclovir': 3324,\n",
       " 'famotidine': 3325,\n",
       " 'felbamate': 3331,\n",
       " 'felodipine': 3333,\n",
       " 'fenofibrate': 3339,\n",
       " 'fenoldopam': 3340,\n",
       " 'fenoprofen': 3342,\n",
       " 'fentanyl': 3345,\n",
       " 'fexofenadine': 3348,\n",
       " 'finasteride': 3350,\n",
       " 'flavoxate': 3354,\n",
       " 'flecainide': 3355,\n",
       " 'fdurd': 3363,\n",
       " 'flucloxacillin': 3364,\n",
       " 'fluconazole': 3365,\n",
       " '5-fluorocytosine': 3366,\n",
       " 'fludarabine': 3367,\n",
       " 'famp': 3368,\n",
       " 'fludrocortisone': 31378,\n",
       " 'fluphenazine': 3388,\n",
       " 'flumazenil': 3373,\n",
       " 'flumethasone': 3375,\n",
       " 'flunisolide': 3379,\n",
       " 'flunitrazepam': 3380,\n",
       " 'fluocinolone': 91488,\n",
       " 'fluocinonide': 3382,\n",
       " 'fluorometholone': 3384,\n",
       " '5-fu': 3385,\n",
       " 'fluoxetine': 3386,\n",
       " 'fluoxymesterone': 3387,\n",
       " 'flurandrenolone': 3392,\n",
       " 'flurazepam': 3393,\n",
       " 'flurbiprofen': 3394,\n",
       " 'flutamide': 3397,\n",
       " 'fluticasone': 9854489,\n",
       " 'fluvastatin': 3403,\n",
       " 'fluvoxamine': 3404,\n",
       " 'folate': 3405,\n",
       " '4-methylpyrazole': 3406,\n",
       " 'formoterol': 3410,\n",
       " 'foscarnet': 3414,\n",
       " 'fosfomycin': 54331,\n",
       " 'fosinopril': 3419,\n",
       " 'romidepsin': 3425,\n",
       " 'furosemide': 3440,\n",
       " 'fusidic': 3443,\n",
       " 'gabapentin': 3446,\n",
       " 'galantamine': 3449,\n",
       " 'ganciclovir': 3454,\n",
       " 'gemcitabine': 3461,\n",
       " 'gemeprost': 3462,\n",
       " 'gemfibrozil': 3463,\n",
       " 'gentamicin': 3467,\n",
       " 'gliclazide': 3475,\n",
       " 'glimepiride': 3476,\n",
       " 'glipizide': 3478,\n",
       " 'glibenclamide': 3488,\n",
       " 'glycopyrrolate': 3494,\n",
       " 'granisetron': 3510,\n",
       " 'griseofulvin': 3512,\n",
       " 'guaifenesin': 3516,\n",
       " 'icodextrin': 3517,\n",
       " 'guanfacine': 3519,\n",
       " 'guanidinium': 3520,\n",
       " 'halcinonide': 3553,\n",
       " 'haloperidol': 3559,\n",
       " 'hexachlorophene': 3598,\n",
       " 'homatropine': 3623,\n",
       " 'buscopan': 3636,\n",
       " 'hydralazine': 3637,\n",
       " 'hydrochlorothiazide': 3639,\n",
       " 'cortisol': 3640,\n",
       " 'hydrocortisone': 3642,\n",
       " 'hydroflumethiazide': 3647,\n",
       " 'hydromorphone': 3648,\n",
       " 'hydroxychloroquine': 3652,\n",
       " 'hydroxyurea': 3657,\n",
       " 'hydroxyzine': 3658,\n",
       " 'atropine': 3661,\n",
       " 'ibuprofen': 3672,\n",
       " 'phenelzine': 3675,\n",
       " 'lidocaine': 3676,\n",
       " 'idarubicin': 3685,\n",
       " 'idurd': 3687,\n",
       " 'ifosfamide': 3690,\n",
       " 'imipramine': 3696,\n",
       " 'indapamide': 3702,\n",
       " 'indinavir': 3706,\n",
       " 'indomethacin': 3715,\n",
       " 'iodixanol': 3724,\n",
       " 'iohexol': 3730,\n",
       " 'iopamidol': 3734,\n",
       " 'iopromide': 3736,\n",
       " 'iotrolan': 3738,\n",
       " 'iodipamide': 3739,\n",
       " 'ioversol': 3741,\n",
       " 'ioxaglate': 3742,\n",
       " 'ioxilan': 3743,\n",
       " 'ipratropium': 3746,\n",
       " 'irbesartan': 3749,\n",
       " 'irinotecan': 3750,\n",
       " 'isocarboxazid': 3759,\n",
       " 'isoflurane': 3763,\n",
       " 'isoniazid': 3767,\n",
       " 'isopropyl': 3777,\n",
       " 'isoproterenol': 3779,\n",
       " 'isosorbide': 3780,\n",
       " 'isoxsuprine': 3783,\n",
       " 'isradipine': 3784,\n",
       " 'itraconazole': 3793,\n",
       " 'ketamine': 3821,\n",
       " 'ketoconazole': 3823,\n",
       " 'ketoprofen': 3825,\n",
       " 'ketorolac': 84003,\n",
       " 'ketotifen': 3827,\n",
       " 'cytokinin': 3830,\n",
       " 'phenyllactate': 3848,\n",
       " 'labetalol': 3869,\n",
       " 'lactulose': 3872,\n",
       " 'lamivudine': 3877,\n",
       " 'lamotrigine': 3878,\n",
       " 'lansoprazole': 3883,\n",
       " 'latanoprost': 3890,\n",
       " 'leflunomide': 3899,\n",
       " 'letrozole': 3902,\n",
       " 'leuprorelin': 6850791,\n",
       " 'levobunolol': 3914,\n",
       " 'levocabastine': 3915,\n",
       " 'levomepromazine': 3916,\n",
       " 'dextrorphan': 3918,\n",
       " 'lincomycin': 3928,\n",
       " 'linezolid': 3929,\n",
       " 'lisinopril': 3937,\n",
       " 'lisuride': 3938,\n",
       " 'lioh': 3939,\n",
       " 'lomefloxacin': 3948,\n",
       " 'lomustine': 3950,\n",
       " 'loperamide': 3954,\n",
       " 'loratadine': 3957,\n",
       " 'lorazepam': 3958,\n",
       " 'losartan': 3961,\n",
       " 'lovastatin': 3962,\n",
       " 'loxapine': 3964,\n",
       " 'mafenide': 3998,\n",
       " 'malathion': 4004,\n",
       " 'maprotiline': 4011,\n",
       " 'mebendazole': 4030,\n",
       " 'mebeverine': 4031,\n",
       " 'mecamylamine': 4032,\n",
       " 'nitrogen': 4033,\n",
       " 'monamine': 4034,\n",
       " 'meclofenamate': 4036,\n",
       " 'medroxyprogesterone': 10631,\n",
       " 'medrysone': 4043,\n",
       " 'mefenamic': 4044,\n",
       " 'mefloquine': 4046,\n",
       " 'megestrol': 19090,\n",
       " 'meloxicam': 4051,\n",
       " 'melphalan': 4053,\n",
       " 'memantine': 4054,\n",
       " 'cantril': 4057,\n",
       " 'meperidine': 4058,\n",
       " 'mephenytoin': 4060,\n",
       " 'mepivacaine': 4062,\n",
       " 'meprobamate': 4064,\n",
       " '5-asa': 4075,\n",
       " 'metaproterenol': 4086,\n",
       " 'metformin': 4091,\n",
       " 'methadone': 4095,\n",
       " 'methenamine': 21945,\n",
       " 'methocarbamol': 4107,\n",
       " 'methotrexate': 4112,\n",
       " '8-mop': 4114,\n",
       " 'n-methylscopolamine': 4120,\n",
       " 'methyclothiazide': 4121,\n",
       " 'methyldopa': 4138,\n",
       " 'methylene': 16124,\n",
       " 'methylergometrine': 4140,\n",
       " 'methylphenidate': 4158,\n",
       " 'methyltestosterone': 4160,\n",
       " 'methysergide': 4163,\n",
       " 'metoclopramide': 4168,\n",
       " 'metolazone': 4170,\n",
       " 'metoprolol': 4171,\n",
       " 'metronidazole': 4173,\n",
       " 'metyrapone': 4174,\n",
       " 'mexiletine': 4178,\n",
       " 'mianserin': 4184,\n",
       " 'miconazole': 4189,\n",
       " 'midazolam': 4192,\n",
       " 'midodrine': 4195,\n",
       " 'mifepristone': 4196,\n",
       " 'milrinone': 4197,\n",
       " 'minoxidil': 4201,\n",
       " 'mirtazapine': 4205,\n",
       " 'mitotane': 4211,\n",
       " 'mitoxantrone': 4212,\n",
       " 'moclobemide': 4235,\n",
       " 'modafinil': 4236,\n",
       " 'mometasone': 123620,\n",
       " 'montelukast': 4248,\n",
       " 'morphine': 4253,\n",
       " 'moxifloxacin': 4259,\n",
       " 'mupirocin': 4264,\n",
       " 'mycophenolate': 4271,\n",
       " 'mycophenolic': 4272,\n",
       " 'tetrofosmin': 4274,\n",
       " 'nabumetone': 4409,\n",
       " 'nadolol': 4411,\n",
       " 'nalbuphine': 4419,\n",
       " 'nalidixic': 4421,\n",
       " 'nalmefene': 4422,\n",
       " 'naloxone': 4425,\n",
       " 'naltrexone': 4428,\n",
       " 'nandrolone': 9904,\n",
       " 'naphazoline': 4436,\n",
       " 'naratriptan': 4440,\n",
       " 'nateglinide': 4443,\n",
       " 'nefazodone': 4449,\n",
       " 'nefopam': 4450,\n",
       " 'nelfinavir': 4451,\n",
       " 'neomycin': 4454,\n",
       " 'neostigmine': 4456,\n",
       " 'nevirapine': 4463,\n",
       " 'nicardipine': 4473,\n",
       " 'nifedipine': 4485,\n",
       " 'nilutamide': 4493,\n",
       " 'nimodipine': 4497,\n",
       " 'nisoldipine': 4499,\n",
       " 'nitrazepam': 4506,\n",
       " 'nitrofurantoin': 4509,\n",
       " 'nitroglycerin': 4510,\n",
       " 'nizatidine': 4513,\n",
       " 'norethisterone': 4536,\n",
       " 'norfloxacin': 4539,\n",
       " 'levonorgestrel': 4542,\n",
       " 'nortriptyline': 4543,\n",
       " 'repaglinide': 4547,\n",
       " 'nystatin': 4568,\n",
       " 'ofloxacin': 4583,\n",
       " 'olanzapine': 4585,\n",
       " 'omeprazole': 4594,\n",
       " 'ondansetron': 4595,\n",
       " 'orlistat': 4599,\n",
       " 'orphenadrine': 4601,\n",
       " 'oseltamivir': 4603,\n",
       " 'oxacillin': 4607,\n",
       " 'oxaliplatin': 4609,\n",
       " 'oxaprozin': 4614,\n",
       " 'oxazepam': 4616,\n",
       " 'oxiconazole': 4623,\n",
       " 'oxprenolol': 4631,\n",
       " 'oxybutynin': 4634,\n",
       " 'oxycodone': 4635,\n",
       " 'oxymetholone': 4638,\n",
       " 'oxymorphone': 4639,\n",
       " 'apas': 4649,\n",
       " 'paclitaxel': 4666,\n",
       " 'pamidronate': 4673,\n",
       " 'pancuronium': 4675,\n",
       " 'dexpanthenol': 4678,\n",
       " 'pantoprazole': 4679,\n",
       " 'papaverine': 4680,\n",
       " 'paromomycin': 4689,\n",
       " 'paroxetine': 4691,\n",
       " 'isosulfan': 4695,\n",
       " 'penbutolol': 4724,\n",
       " 'penciclovir': 4725,\n",
       " 'd-penicillamine': 4727,\n",
       " 'pentamidine': 4735,\n",
       " 'pentazocine': 4736,\n",
       " 'pentobarbital': 4737,\n",
       " 'pentostatin': 4739,\n",
       " 'pentoxifylline': 4740,\n",
       " 'pergolide': 4745,\n",
       " 'perhexiline': 4746,\n",
       " 'propericiazine': 4747,\n",
       " 'perphenazine': 4748,\n",
       " 'phenylazo': 4756,\n",
       " 'phenobarbital': 4763,\n",
       " 'phenoxybenzamine': 4768,\n",
       " 'phentermine': 4771,\n",
       " '4-pba': 4775,\n",
       " 'phenylephrine': 4782,\n",
       " 'phenylpropanolamine': 4786,\n",
       " 'moxonidine': 4810,\n",
       " 'physostigmine': 4811,\n",
       " 'pilocarpine': 4819,\n",
       " 'pindolol': 4828,\n",
       " 'pioglitazone': 4829,\n",
       " 'piperacillin': 4834,\n",
       " 'pirbuterol': 4845,\n",
       " 'podophyllotoxin': 4865,\n",
       " 'polymyxin': 4868,\n",
       " 'polythiazide': 4870,\n",
       " 'pramipexole': 4885,\n",
       " 'pravastatin': 4889,\n",
       " 'praziquantel': 4891,\n",
       " 'prazosin': 4893,\n",
       " 'prednisolone': 4896,\n",
       " 'prednisone': 4900,\n",
       " 'prilocaine': 4906,\n",
       " 'primaquine': 4908,\n",
       " 'primidone': 4909,\n",
       " 'probenecid': 4911,\n",
       " 'procainamide': 4913,\n",
       " 'procaine': 22502,\n",
       " 'procarbazine': 4915,\n",
       " 'prochlorperazine': 4917,\n",
       " 'progesterone': 4920,\n",
       " 'proguanil': 4923,\n",
       " 'promethazine': 4927,\n",
       " 'propafenone': 4932,\n",
       " 'propantheline': 4934,\n",
       " 'proparacaine': 4935,\n",
       " 'propofol': 4943,\n",
       " 'propranolol': 4946,\n",
       " 'protriptyline': 4976,\n",
       " 'pyrantel': 4989,\n",
       " 'pyridostigmine': 4991,\n",
       " 'mepyramine': 4992,\n",
       " 'pyrimethamine': 4993,\n",
       " 'quazepam': 4999,\n",
       " 'quetiapine': 5002,\n",
       " 'quinapril': 5005,\n",
       " 'rabeprazole': 5029,\n",
       " 'ephedrine': 5032,\n",
       " 'raloxifene': 5035,\n",
       " 'ramipril': 5038,\n",
       " 'ranitidine': 5039,\n",
       " 'rapamycin': 5040,\n",
       " 'rescinnamine': 5051,\n",
       " 'reserpine': 5052,\n",
       " 'ribavirin': 5064,\n",
       " 'riluzole': 5070,\n",
       " 'rimantadine': 5071,\n",
       " 'risperidone': 5073,\n",
       " 'ritonavir': 5076,\n",
       " 'rivastigmine': 5077,\n",
       " 'rizatriptan': 5078,\n",
       " 'rofecoxib': 5090,\n",
       " 'ropinirole': 5095,\n",
       " 'roxithromycin': 5106,\n",
       " 'salmeterol': 5152,\n",
       " 'stavudine': 5155,\n",
       " 'salsalate': 5161,\n",
       " 'scopolamine': 5184,\n",
       " 'secobarbital': 5193,\n",
       " 'deprenyl': 5195,\n",
       " 'sertraline': 5203,\n",
       " 'sevoflurane': 5206,\n",
       " 'sibutramine': 5210,\n",
       " 'sildenafil': 5212,\n",
       " 'silver': 23954,\n",
       " 'sulfadiazine': 5215,\n",
       " 'risedronate': 5245,\n",
       " 'sotalol': 5253,\n",
       " 'sparfloxacin': 5257,\n",
       " 'spironolactone': 5267,\n",
       " 'imatinib': 5291,\n",
       " 'streptomycin': 5297,\n",
       " 'streptozotocin': 5300,\n",
       " 'vorinostat': 5311,\n",
       " 'succinylcholine': 5314,\n",
       " 'sulconazole': 5318,\n",
       " 'sulfacetamide': 5320,\n",
       " 'sulfamethoxazole': 5329,\n",
       " 'sulfonamide': 5333,\n",
       " 'sulindac': 5352,\n",
       " 'sumatriptan': 5358,\n",
       " 'suprofen': 5359,\n",
       " 'tacrolimus': 5372,\n",
       " 'tamoxifen': 5376,\n",
       " 'gatifloxacin': 5379,\n",
       " 'tazarotene': 5381,\n",
       " 'temazepam': 5391,\n",
       " 'temozolomide': 5394,\n",
       " 'teniposide': 5396,\n",
       " 'terazosin': 5401,\n",
       " 'terbinafine': 5402,\n",
       " 'terbutaline': 5403,\n",
       " 'terconazole': 5404,\n",
       " 'testolactone': 5407,\n",
       " 'testosterone': 65157,\n",
       " 'tetracaine': 5411,\n",
       " 'tetrahydrozoline': 5419,\n",
       " 'thalidomide': 5426,\n",
       " 'thiabendazole': 5430,\n",
       " 'thioridazine': 5452,\n",
       " 'thiotepa': 5453,\n",
       " 'thiothixene': 5454,\n",
       " 'tiagabine': 5466,\n",
       " 'tiaprofenic': 5468,\n",
       " 'tibolone': 5470,\n",
       " 'ticlopidine': 5472,\n",
       " 'timolol': 5478,\n",
       " 'tinidazole': 5479,\n",
       " 'tiopronin': 5483,\n",
       " 'tirofiban': 5486,\n",
       " 'tizanidine': 5487,\n",
       " 'tobramycin': 5496,\n",
       " 'tolazamide': 5503,\n",
       " 'tolbutamide': 5505,\n",
       " 'tolmetin': 5508,\n",
       " 'tolterodine': 5512,\n",
       " 'topiramate': 5514,\n",
       " 'topotecan': 5515,\n",
       " 'toremifene': 5516,\n",
       " 'tramadol': 5523,\n",
       " 'tramazoline': 5524,\n",
       " 'trandolapril': 5525,\n",
       " 'tranexamic': 5526,\n",
       " 'tranylcypromine': 5530,\n",
       " 'trazodone': 5533,\n",
       " 'retinoic': 5538,\n",
       " 'triamcinolone': 6436,\n",
       " 'triamterene': 5546,\n",
       " 'triazolam': 5556,\n",
       " 'triclosan': 5564,\n",
       " 'trien': 5565,\n",
       " 'trifluoperazine': 5566,\n",
       " 'trihexyphenidyl': 5572,\n",
       " 'trimethadione': 5576,\n",
       " 'trimethobenzamide': 5577,\n",
       " 'trimethoprim': 5578,\n",
       " 'trimetrexate': 5582,\n",
       " 'trimipramine': 5584,\n",
       " 'troglitazone': 5591,\n",
       " 'tropicamide': 5593,\n",
       " 'tropisetron': 5595,\n",
       " 'trospium': 5596,\n",
       " 'delavirdine': 5625,\n",
       " 'unoprostone': 5636,\n",
       " 'udca': 5645,\n",
       " 'vacv': 5647,\n",
       " 'valsartan': 5650,\n",
       " 'vancocine': 5651,\n",
       " 'venlafaxine': 5656,\n",
       " 'vigabatrin': 5665,\n",
       " 'vinorelbine': 5672,\n",
       " 'zafirlukast': 5717,\n",
       " 'zalcitabine': 5718,\n",
       " 'zaleplon': 5719,\n",
       " 'zanamivir': 5721,\n",
       " 'zidovudine': 5726,\n",
       " 'zncl2': 5727,\n",
       " 'zolmitriptan': 5731,\n",
       " 'zolpidem': 5732,\n",
       " 'zonisamide': 5734,\n",
       " 'zopiclone': 5735,\n",
       " 'mitomycin': 5746,\n",
       " 'oxytocin': 5771,\n",
       " 'phentolamine': 5775,\n",
       " 'demethyl': 5877,\n",
       " 'oxandrolone': 5878,\n",
       " 'biguanide': 5939,\n",
       " 'vincristine': 5978,\n",
       " 'tetrabenazine': 6018,\n",
       " 'edta': 6049,\n",
       " 'cysteamine': 6058,\n",
       " '17-hydroxyprogesterone': 6238,\n",
       " 'trifluorothymidine': 6256,\n",
       " 'optison': 6432,\n",
       " 'bromcresol': 6451,\n",
       " 'phencyclidine': 6468,\n",
       " 'methsuximide': 6476,\n",
       " 'tris': 6503,\n",
       " 'cyclizine': 6726,\n",
       " 'phenylbutyric': 7012,\n",
       " 'diethylpropion': 7029,\n",
       " 'benzoyl': 7187,\n",
       " 'monobenzone': 7638,\n",
       " 'benzonatate': 7699,\n",
       " 'tetraen': 8197,\n",
       " 'argenine': 8230,\n",
       " 'chloroprocaine': 8612,\n",
       " 'nafcillin': 8982,\n",
       " 'methohexital': 9034,\n",
       " 'dimercaptosuccinic': 9354,\n",
       " 'aminophylline': 9433,\n",
       " 'propoxyphene': 28332,\n",
       " 'hydroxybutyrate': 10413,\n",
       " 'echothiophate': 10547,\n",
       " 'dimenhydrinate': 10660,\n",
       " 'lithium': 28486,\n",
       " 'brolene': 11973,\n",
       " 'zuclopenthixol': 12453,\n",
       " 'phendimetrazine': 12460,\n",
       " 'desonide': 12536,\n",
       " 'benzydamine': 12555,\n",
       " 'isomannide': 12597,\n",
       " 'tadenan': 12620,\n",
       " 'lormetazepam': 13314,\n",
       " 'vinblastine': 13342,\n",
       " 'ferumoxytol': 14789,\n",
       " 'arsenic': 5359596,\n",
       " 'fluoride': 14917,\n",
       " 'benzathine': 15232,\n",
       " 'metaxalone': 15459,\n",
       " 'amiloride': 16230,\n",
       " 'pimozide': 16362,\n",
       " 'betamethasone': 21800,\n",
       " 'fluorescein': 16850,\n",
       " \"5-aza-2'-deoxycytidine\": 16886,\n",
       " 'sonovue': 17358,\n",
       " 'clocortolone': 20969,\n",
       " 'hydrocodone': 22258,\n",
       " 'gold': 22318,\n",
       " 'ogen': 23703,\n",
       " 'molindone': 23897,\n",
       " 'fe(iii': 23925,\n",
       " 'lanthanum': 168924,\n",
       " 'samarium': 23951,\n",
       " 'technetium-99m': 23957,\n",
       " 'chromium': 23976,\n",
       " 'copper': 23978,\n",
       " 'gadolinium': 23982,\n",
       " 'yttrium': 23993,\n",
       " 'zinc': 24424,\n",
       " 'selenium': 6326970,\n",
       " 'barium': 83513,\n",
       " 'tlcl': 24642,\n",
       " 'triphasil': 24706,\n",
       " 'iodide': 24841,\n",
       " 'clodronate': 25419,\n",
       " 'prussian': 25959,\n",
       " 'hmdp': 27304,\n",
       " 'pizotifen': 27400,\n",
       " 'isosorbide-5-mononitrate': 27661,\n",
       " 'desmopressin': 27991,\n",
       " 'conjugated': 27993,\n",
       " 'dexrazoxane': 30623,\n",
       " 'carbimazole': 31072,\n",
       " 'paraldehyde': 31264,\n",
       " 'metipranolol': 31477,\n",
       " 'articaine': 32169,\n",
       " 'protirelin': 32281,\n",
       " 'asp-tyr(so3h)-met-gly-trp-met-asp-phe-nh2': 32800,\n",
       " 'oxcarbazepine': 34312,\n",
       " 'etomidate': 36339,\n",
       " 'gonadorelin': 36523,\n",
       " 'dobutamine': 36811,\n",
       " 'halofantrine': 37392,\n",
       " 'pentosan': 37720,\n",
       " 'carboplatin': 38904,\n",
       " 'bezafibrate': 39042,\n",
       " 'rimexolone': 39507,\n",
       " 'stiripentol': 39524,\n",
       " 'vecuronium': 39764,\n",
       " 'nabilone': 39860,\n",
       " 'permethrin': 40159,\n",
       " 'pirfenidone': 40632,\n",
       " 'pinaverium': 40703,\n",
       " 'desogestrel': 40973,\n",
       " 'implanon': 40976,\n",
       " 'acitretin': 41317,\n",
       " 'nitazoxanide': 41684,\n",
       " 'sufentanil': 41693,\n",
       " 'valrubicin': 41744,\n",
       " 'acarbose': 41774,\n",
       " 'torasemide': 41781,\n",
       " 'desflurane': 42113,\n",
       " 'westcort': 42395,\n",
       " 'supremon': 42615,\n",
       " 'misoprostol': 42955,\n",
       " 'lodoxamide': 44564,\n",
       " 'atracurium': 47319,\n",
       " 'cisatracurium': 47320,\n",
       " 'butoconazole': 47471,\n",
       " 'nicorandil': 47528,\n",
       " 'naftifine': 47640,\n",
       " 'goserelin': 47725,\n",
       " 'nedocromil': 50294,\n",
       " 'cefotetan': 50614,\n",
       " 'alfentanil': 51263,\n",
       " 'miglitol': 51577,\n",
       " 'miglustat': 51634,\n",
       " 'prednicarbate': 52421,\n",
       " 'mebrofenin': 54158,\n",
       " 'iloprost': 54313,\n",
       " 'octreotide': 54373,\n",
       " 'simvastatin': 54454,\n",
       " 'cefpodoxime': 54547,\n",
       " 'clarithromycin': 54688,\n",
       " 'treprostinil': 54786,\n",
       " 'loteprednol': 54808,\n",
       " 'atomoxetine': 54840,\n",
       " 'nsc': 54949,\n",
       " 'moexiprilat': 55331,\n",
       " 'gd-dtpa': 55466,\n",
       " 'milnacipran': 55480,\n",
       " 'fosphenytoin': 56338,\n",
       " 'ranolazine': 56959,\n",
       " 'photofrin': 3086257,\n",
       " 'imiquimod': 57469,\n",
       " 'rotigotine': 57537,\n",
       " 'pemirolast': 57697,\n",
       " 'levetiracetam': 59708,\n",
       " 'esmolol': 59768,\n",
       " 'tamsulosin': 60146,\n",
       " 'adapalene': 60164,\n",
       " 'adefovir': 60871,\n",
       " 'perindopril': 60184,\n",
       " 'exemestane': 60198,\n",
       " 'zileuton': 60490,\n",
       " 'dexmedetomidine': 60612,\n",
       " 'cidofovir': 60613,\n",
       " 'rocuronium': 60695,\n",
       " 'meropenem': 64778,\n",
       " 'gadoteridol': 60714,\n",
       " 'bromfenac': 60726,\n",
       " 'mthpc': 60751,\n",
       " 'ibutilide': 60752,\n",
       " 'gadodiamide': 60754,\n",
       " 'saquinavir': 60787,\n",
       " 'aripiprazole': 60795,\n",
       " 'remifentanil': 60814,\n",
       " 'tiotropium': 60830,\n",
       " 'duloxetine': 60834,\n",
       " 'pemetrexed': 60843,\n",
       " 'ibandronate': 60852,\n",
       " 'ziprasidone': 60853,\n",
       " 'metaiodobenzylguanidine': 60860,\n",
       " 'olopatadine': 60864,\n",
       " 'levosimendan': 60867,\n",
       " 'emtricitabine': 60877,\n",
       " 'eprosartan': 60878,\n",
       " 'tiludronate': 60936,\n",
       " 'capecitabine': 60953,\n",
       " 'monomethylfumarate': 61799,\n",
       " 'doxycycline': 54682541,\n",
       " 'ammonium': 62358,\n",
       " 'colestipol': 62816,\n",
       " 'metrodin': 62819,\n",
       " 'fosinoprilat': 62956,\n",
       " 'trovafloxacin': 62959,\n",
       " 'benazeprilat': 63001,\n",
       " 'valganciclovir': 64147,\n",
       " 'fenofibric': 64929,\n",
       " 'tenofovir': 119830,\n",
       " 'amd3100': 65014,\n",
       " 'glat': 65370,\n",
       " 'bendamustine': 65628,\n",
       " 'colestimide': 65840,\n",
       " 'reboxetine': 65856,\n",
       " 'sertaconazole': 65863,\n",
       " 'lercanidipine': 65866,\n",
       " 'telmisartan': 65999,\n",
       " 'atosiban': 68613,\n",
       " 'zoledronic': 68740,\n",
       " 'brinzolamide': 68844,\n",
       " 'malvidin': 69512,\n",
       " 'acamprosate': 71158,\n",
       " 'ropivacaine': 71273,\n",
       " 'nebivolol': 71301,\n",
       " 'mivacurium': 71316,\n",
       " 'dofetilide': 71329,\n",
       " 'lanreotide': 71348,\n",
       " 'iloperidone': 71360,\n",
       " 'hoe': 71362,\n",
       " 'tpgs': 71406,\n",
       " 'lutalyse': 71436,\n",
       " 'voriconazole': 71616,\n",
       " 'perindoprilat': 72022,\n",
       " 'darifenacin': 72054,\n",
       " 'terlipressin': 72081,\n",
       " 'rifaximin': 72111,\n",
       " 'bleomycin': 72466,\n",
       " 'gemifloxacin': 72938,\n",
       " 'doripenem': 73303,\n",
       " 'telithromycin': 73658,\n",
       " 'atovaquone': 74989,\n",
       " 'frovatriptan': 77992,\n",
       " 'eletriptan': 77993,\n",
       " 'paricalcitol': 77996,\n",
       " 'mk-462': 77997,\n",
       " 'rosiglitazone': 77998,\n",
       " 'vallergan': 78032,\n",
       " 'bexarotene': 82146,\n",
       " 'agomelatine': 82148,\n",
       " 'ge-132': 83030,\n",
       " 'strontium': 6918182,\n",
       " 'bortezomib': 93860,\n",
       " 'nelarabine': 96312,\n",
       " 'rasburicase': 102258,\n",
       " 'dextran': 102399,\n",
       " 'ici': 104741,\n",
       " ...}"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drugid_dic = {drugid['Name'][i].lower():drugid['DrugID'][i] for i in range(len(drugid))}\n",
    "drugid_dic"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "dd = ts_train['Drug1'].unique().tolist()\n",
    "for drug in dd:\n",
    "    if drug.lower() not in drugid_dic:\n",
    "        print(drug)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Drug1</th>\n",
       "      <th>Drug2</th>\n",
       "      <th>PSE</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>5391</td>\n",
       "      <td>5212</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>2471</td>\n",
       "      <td>5771</td>\n",
       "      <td>Arthralgia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>5376</td>\n",
       "      <td>4900</td>\n",
       "      <td>Diarrhoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>5391</td>\n",
       "      <td>5212</td>\n",
       "      <td>Diarrhoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>2471</td>\n",
       "      <td>5771</td>\n",
       "      <td>Diarrhoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18492593</th>\n",
       "      <td>3825</td>\n",
       "      <td>4248</td>\n",
       "      <td>Pulmonary embolism</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18492594</th>\n",
       "      <td>3825</td>\n",
       "      <td>4248</td>\n",
       "      <td>Cough</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18492595</th>\n",
       "      <td>3825</td>\n",
       "      <td>4248</td>\n",
       "      <td>Rash</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18492596</th>\n",
       "      <td>3825</td>\n",
       "      <td>4248</td>\n",
       "      <td>Alopecia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18492597</th>\n",
       "      <td>3825</td>\n",
       "      <td>4248</td>\n",
       "      <td>Hypertension</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>18492598 rows × 3 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "          Drug1  Drug2                 PSE\n",
       "0          5391   5212          Arthralgia\n",
       "1          2471   5771          Arthralgia\n",
       "2          5376   4900           Diarrhoea\n",
       "3          5391   5212           Diarrhoea\n",
       "4          2471   5771           Diarrhoea\n",
       "...         ...    ...                 ...\n",
       "18492593   3825   4248  Pulmonary embolism\n",
       "18492594   3825   4248               Cough\n",
       "18492595   3825   4248                Rash\n",
       "18492596   3825   4248            Alopecia\n",
       "18492597   3825   4248        Hypertension\n",
       "\n",
       "[18492598 rows x 3 columns]"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "# Conver drug names to DrugIDs\n",
    "ts_train['Drug1'] = ts_train['Drug1'].str.lower()\n",
    "ts_train['Drug2'] = ts_train['Drug2'].str.lower()\n",
    "ts_train['Drug1'] = ts_train['Drug1'].map(drugid_dic)\n",
    "ts_train['Drug2'] = ts_train['Drug2'].map(drugid_dic)\n",
    "ts_train"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "6287a6fd50084a11a5b9b6a32f4ad6e4",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "HBox(children=(HTML(value=''), FloatProgress(value=0.0, max=104222.0), HTML(value='')))"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n"
     ]
    }
   ],
   "source": [
    "PSEs = ts_train['PSE'].unique().tolist()\n",
    "x = ts_train.groupby(by=['Drug1','Drug2'])\n",
    "df = []\n",
    "for comb in tqdm(x.groups):\n",
    "    row = {'Drug1':comb[0],'Drug2':comb[1]} \n",
    "    comb_df = x.get_group(comb)\n",
    "    col = {PSE:0 for PSE in PSEs}\n",
    "    for PSE in comb_df['PSE'].unique().tolist():\n",
    "        col[PSE] = 1\n",
    "        \n",
    "    row.update(col)\n",
    "    df.append(row)\n",
    "    \n",
    "ts = pd.DataFrame.from_dict(df)\n",
    "ts\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": [
    "ts.to_csv('../data/GNN-TWOSIDE-train-PSE-3347.csv', index=False, sep = ',')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "#### ================= testing ======================"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [],
   "source": [
    "ts_train = pd.read_csv('../data/GNN-TWOSIDE-train-PSE-964.csv', sep=',')\n",
    "#PSEs = ts_train.columns.values.tolist()\n",
    "#cols = {PSE:0 for PSE in PSEs}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "metadata": {},
   "outputs": [],
   "source": [
    "#ts_train = pd.read_csv('../data/GNN-TWOSIDE-train-PSE-964.csv', sep=',')\n",
    "#ts_asses = pd.read_csv('../data/TWOSIDE-assesment-PSE-964.csv', sep = ',')\n",
    "#ts_eval = pd.read_csv('../data/TWOSIDE-evaluation-PSE-964.csv', sep = ',')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
   "outputs": [],
   "source": [
    "ts = ts_eval[PSEs]\n",
    "ts"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Drug1</th>\n",
       "      <th>Drug2</th>\n",
       "      <th>Arthralgia</th>\n",
       "      <th>Diarrhoea</th>\n",
       "      <th>Headache</th>\n",
       "      <th>Vomiting</th>\n",
       "      <th>Dyspepsia</th>\n",
       "      <th>Renal impairment</th>\n",
       "      <th>Cough</th>\n",
       "      <th>Rhinorrhoea</th>\n",
       "      <th>...</th>\n",
       "      <th>Hyperventilation</th>\n",
       "      <th>Pleuritic pain</th>\n",
       "      <th>Nail disorder</th>\n",
       "      <th>Aneurysm</th>\n",
       "      <th>Thrombophlebitis</th>\n",
       "      <th>Hypertensive crisis</th>\n",
       "      <th>Pneumonia bacterial</th>\n",
       "      <th>Hepatocellular injury</th>\n",
       "      <th>Shock haemorrhagic</th>\n",
       "      <th>Haemorrhagic stroke</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>85</td>\n",
       "      <td>232</td>\n",
       "      <td>0</td>\n",
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       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>85</td>\n",
       "      <td>2249</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>85</td>\n",
       "      <td>2585</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>85</td>\n",
       "      <td>3062</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>85</td>\n",
       "      <td>3446</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>104217</th>\n",
       "      <td>54687131</td>\n",
       "      <td>54454</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>104218</th>\n",
       "      <td>54687131</td>\n",
       "      <td>60164</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>104219</th>\n",
       "      <td>56603655</td>\n",
       "      <td>2249</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>104220</th>\n",
       "      <td>56603655</td>\n",
       "      <td>2806</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>104221</th>\n",
       "      <td>56603655</td>\n",
       "      <td>5362420</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>104222 rows × 966 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "           Drug1    Drug2  Arthralgia  Diarrhoea  Headache  Vomiting  \\\n",
       "0             85      232           0          0         0         0   \n",
       "1             85     2249           0          0         1         0   \n",
       "2             85     2585           0          0         1         1   \n",
       "3             85     3062           0          0         1         1   \n",
       "4             85     3446           0          0         1         1   \n",
       "...          ...      ...         ...        ...       ...       ...   \n",
       "104217  54687131    54454           1          1         1         1   \n",
       "104218  54687131    60164           1          1         1         1   \n",
       "104219  56603655     2249           1          1         1         1   \n",
       "104220  56603655     2806           1          1         1         1   \n",
       "104221  56603655  5362420           1          1         1         1   \n",
       "\n",
       "        Dyspepsia  Renal impairment  Cough  Rhinorrhoea  ...  \\\n",
       "0               0                 0      0            0  ...   \n",
       "1               0                 0      0            0  ...   \n",
       "2               0                 0      0            0  ...   \n",
       "3               0                 0      0            0  ...   \n",
       "4               0                 0      0            0  ...   \n",
       "...           ...               ...    ...          ...  ...   \n",
       "104217          1                 1      1            1  ...   \n",
       "104218          1                 1      1            1  ...   \n",
       "104219          1                 1      1            1  ...   \n",
       "104220          1                 1      1            1  ...   \n",
       "104221          1                 1      1            1  ...   \n",
       "\n",
       "        Hyperventilation  Pleuritic pain  Nail disorder  Aneurysm  \\\n",
       "0                      0               0              0         0   \n",
       "1                      0               0              0         0   \n",
       "2                      0               0              0         0   \n",
       "3                      0               0              0         0   \n",
       "4                      0               0              0         0   \n",
       "...                  ...             ...            ...       ...   \n",
       "104217                 1               1              1         1   \n",
       "104218                 1               1              1         1   \n",
       "104219                 1               1              1         1   \n",
       "104220                 1               1              1         1   \n",
       "104221                 1               1              1         1   \n",
       "\n",
       "        Thrombophlebitis  Hypertensive crisis  Pneumonia bacterial  \\\n",
       "0                      0                    0                    0   \n",
       "1                      0                    0                    0   \n",
       "2                      0                    0                    0   \n",
       "3                      0                    0                    0   \n",
       "4                      0                    0                    0   \n",
       "...                  ...                  ...                  ...   \n",
       "104217                 1                    1                    1   \n",
       "104218                 1                    1                    1   \n",
       "104219                 1                    1                    1   \n",
       "104220                 1                    1                    1   \n",
       "104221                 1                    1                    1   \n",
       "\n",
       "        Hepatocellular injury  Shock haemorrhagic  Haemorrhagic stroke  \n",
       "0                           0                   0                    0  \n",
       "1                           0                   0                    0  \n",
       "2                           0                   0                    0  \n",
       "3                           0                   0                    0  \n",
       "4                           0                   0                    0  \n",
       "...                       ...                 ...                  ...  \n",
       "104217                      1                   1                    1  \n",
       "104218                      1                   1                    1  \n",
       "104219                      1                   1                    1  \n",
       "104220                      1                   1                    1  \n",
       "104221                      1                   1                    1  \n",
       "\n",
       "[104222 rows x 966 columns]"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "test = ts_train.copy()\n",
    "test"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "104222"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "x = test.groupby(by=['Drug1','Drug2'])\n",
    "len(x)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Drug1</th>\n",
       "      <th>Drug2</th>\n",
       "      <th>PSE</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>2032276</th>\n",
       "      <td>pegaptanib</td>\n",
       "      <td>Verteporfin</td>\n",
       "      <td>Tachycardia</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2032277</th>\n",
       "      <td>pegaptanib</td>\n",
       "      <td>Verteporfin</td>\n",
       "      <td>Dyspnoea</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2032278</th>\n",
       "      <td>pegaptanib</td>\n",
       "      <td>Verteporfin</td>\n",
       "      <td>Visual acuity reduced</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2032279</th>\n",
       "      <td>pegaptanib</td>\n",
       "      <td>Verteporfin</td>\n",
       "      <td>Vision blurred</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2032280</th>\n",
       "      <td>pegaptanib</td>\n",
       "      <td>Verteporfin</td>\n",
       "      <td>Condition aggravated</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "              Drug1        Drug2                    PSE\n",
       "2032276  pegaptanib  Verteporfin            Tachycardia\n",
       "2032277  pegaptanib  Verteporfin               Dyspnoea\n",
       "2032278  pegaptanib  Verteporfin  Visual acuity reduced\n",
       "2032279  pegaptanib  Verteporfin         Vision blurred\n",
       "2032280  pegaptanib  Verteporfin   Condition aggravated"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "x.get_group(('pegaptanib', 'Verteporfin'))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "d7d6315675be498f9271deaddd3eb150",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "HBox(children=(HTML(value=''), FloatProgress(value=0.0, max=89632.0), HTML(value='')))"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n"
     ]
    },
    {
     "ename": "KeyboardInterrupt",
     "evalue": "",
     "output_type": "error",
     "traceback": [
      "\u001b[1;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[1;31mKeyboardInterrupt\u001b[0m                         Traceback (most recent call last)",
      "\u001b[1;32m<ipython-input-30-64e4262c308a>\u001b[0m in \u001b[0;36m<module>\u001b[1;34m\u001b[0m\n\u001b[0;32m     10\u001b[0m     \u001b[0mdf\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mappend\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mrow\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m     11\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m---> 12\u001b[1;33m \u001b[0mts\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mpd\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mDataFrame\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mfrom_dict\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mdf\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m     13\u001b[0m \u001b[0mts\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n",
      "\u001b[1;32mD:\\Application\\Anaconda\\lib\\site-packages\\pandas\\core\\frame.py\u001b[0m in \u001b[0;36mfrom_dict\u001b[1;34m(cls, data, orient, dtype, columns)\u001b[0m\n\u001b[0;32m   1307\u001b[0m             \u001b[1;32mraise\u001b[0m \u001b[0mValueError\u001b[0m\u001b[1;33m(\u001b[0m\u001b[1;34m\"only recognize index or columns for orient\"\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1308\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m-> 1309\u001b[1;33m         \u001b[1;32mreturn\u001b[0m \u001b[0mcls\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mdata\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mindex\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mindex\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mcolumns\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mcolumns\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mdtype\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m   1310\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1311\u001b[0m     def to_numpy(\n",
      "\u001b[1;32mD:\\Application\\Anaconda\\lib\\site-packages\\pandas\\core\\frame.py\u001b[0m in \u001b[0;36m__init__\u001b[1;34m(self, data, index, columns, dtype, copy)\u001b[0m\n\u001b[0;32m    519\u001b[0m                             \u001b[0mindex\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mibase\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mdefault_index\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mlen\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mdata\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m    520\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m--> 521\u001b[1;33m                     \u001b[0mmgr\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0marrays_to_mgr\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0marrays\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mcolumns\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mindex\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mcolumns\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mdtype\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m    522\u001b[0m                 \u001b[1;32melse\u001b[0m\u001b[1;33m:\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m    523\u001b[0m                     \u001b[0mmgr\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0minit_ndarray\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mdata\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mindex\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mcolumns\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mdtype\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mcopy\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mcopy\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n",
      "\u001b[1;32mD:\\Application\\Anaconda\\lib\\site-packages\\pandas\\core\\internals\\construction.py\u001b[0m in \u001b[0;36marrays_to_mgr\u001b[1;34m(arrays, arr_names, index, columns, dtype, verify_integrity)\u001b[0m\n\u001b[0;32m     91\u001b[0m     \u001b[0maxes\u001b[0m \u001b[1;33m=\u001b[0m \u001b[1;33m[\u001b[0m\u001b[0mcolumns\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mindex\u001b[0m\u001b[1;33m]\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m     92\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m---> 93\u001b[1;33m     \u001b[1;32mreturn\u001b[0m \u001b[0mcreate_block_manager_from_arrays\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0marrays\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0marr_names\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0maxes\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m     94\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m     95\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n",
      "\u001b[1;32mD:\\Application\\Anaconda\\lib\\site-packages\\pandas\\core\\internals\\managers.py\u001b[0m in \u001b[0;36mcreate_block_manager_from_arrays\u001b[1;34m(arrays, names, axes)\u001b[0m\n\u001b[0;32m   1681\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1682\u001b[0m     \u001b[1;32mtry\u001b[0m\u001b[1;33m:\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m-> 1683\u001b[1;33m         \u001b[0mblocks\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mform_blocks\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0marrays\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mnames\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0maxes\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m   1684\u001b[0m         \u001b[0mmgr\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mBlockManager\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mblocks\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0maxes\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1685\u001b[0m         \u001b[0mmgr\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0m_consolidate_inplace\u001b[0m\u001b[1;33m(\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n",
      "\u001b[1;32mD:\\Application\\Anaconda\\lib\\site-packages\\pandas\\core\\internals\\managers.py\u001b[0m in \u001b[0;36mform_blocks\u001b[1;34m(arrays, names, axes)\u001b[0m\n\u001b[0;32m   1751\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1752\u001b[0m     \u001b[1;32mif\u001b[0m \u001b[0mlen\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mitems_dict\u001b[0m\u001b[1;33m[\u001b[0m\u001b[1;34m\"IntBlock\"\u001b[0m\u001b[1;33m]\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m:\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m-> 1753\u001b[1;33m         \u001b[0mint_blocks\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0m_multi_blockify\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mitems_dict\u001b[0m\u001b[1;33m[\u001b[0m\u001b[1;34m\"IntBlock\"\u001b[0m\u001b[1;33m]\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m   1754\u001b[0m         \u001b[0mblocks\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mextend\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mint_blocks\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1755\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n",
      "\u001b[1;32mD:\\Application\\Anaconda\\lib\\site-packages\\pandas\\core\\internals\\managers.py\u001b[0m in \u001b[0;36m_multi_blockify\u001b[1;34m(tuples, dtype)\u001b[0m\n\u001b[0;32m   1833\u001b[0m     \u001b[1;32mfor\u001b[0m \u001b[0mdtype\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mtup_block\u001b[0m \u001b[1;32min\u001b[0m \u001b[0mgrouper\u001b[0m\u001b[1;33m:\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1834\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m-> 1835\u001b[1;33m         \u001b[0mvalues\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mplacement\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0m_stack_arrays\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mlist\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mtup_block\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m   1836\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1837\u001b[0m         \u001b[0mblock\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mmake_block\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mvalues\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mplacement\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mplacement\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n",
      "\u001b[1;32mD:\\Application\\Anaconda\\lib\\site-packages\\pandas\\core\\internals\\managers.py\u001b[0m in \u001b[0;36m_stack_arrays\u001b[1;34m(tuples, dtype)\u001b[0m\n\u001b[0;32m   1863\u001b[0m     \u001b[0mstacked\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mnp\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mempty\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mshape\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mdtype\u001b[0m\u001b[1;33m=\u001b[0m\u001b[0mdtype\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1864\u001b[0m     \u001b[1;32mfor\u001b[0m \u001b[0mi\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0marr\u001b[0m \u001b[1;32min\u001b[0m \u001b[0menumerate\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0marrays\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m:\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m-> 1865\u001b[1;33m         \u001b[0mstacked\u001b[0m\u001b[1;33m[\u001b[0m\u001b[0mi\u001b[0m\u001b[1;33m]\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0m_asarray_compat\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0marr\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m\u001b[0;32m   1866\u001b[0m \u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m   1867\u001b[0m     \u001b[1;32mreturn\u001b[0m \u001b[0mstacked\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mplacement\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n",
      "\u001b[1;31mKeyboardInterrupt\u001b[0m: "
     ]
    }
   ],
   "source": [
    "df = []\n",
    "for comb in tqdm(x.groups):\n",
    "    row = {'Drug1':comb[0],'Drug2':comb[1]} \n",
    "    comb_df = x.get_group(comb)\n",
    "    col = cols\n",
    "    for PSE in comb_df.columns.values.tolist()[2:]:\n",
    "        if PSE in col:\n",
    "            col[PSE] = 1\n",
    "    row.update(col)\n",
    "    df.append(row)\n",
    "    \n",
    "ts = pd.DataFrame.from_dict(df)\n",
    "ts"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "metadata": {},
   "outputs": [],
   "source": [
    "ts.to_csv('../data/TWOSIDE-evaluation-PSE-964.csv', index=False, sep = ',')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 43,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Drug1</th>\n",
       "      <th>Drug2</th>\n",
       "      <th>Arthralgia</th>\n",
       "      <th>Diarrhoea</th>\n",
       "      <th>Headache</th>\n",
       "      <th>Vomiting</th>\n",
       "      <th>Dyspepsia</th>\n",
       "      <th>Renal impairment</th>\n",
       "      <th>Cough</th>\n",
       "      <th>Rhinorrhoea</th>\n",
       "      <th>...</th>\n",
       "      <th>Hyperventilation</th>\n",
       "      <th>Pleuritic pain</th>\n",
       "      <th>Nail disorder</th>\n",
       "      <th>Aneurysm</th>\n",
       "      <th>Thrombophlebitis</th>\n",
       "      <th>Hypertensive crisis</th>\n",
       "      <th>Pneumonia bacterial</th>\n",
       "      <th>Hepatocellular injury</th>\n",
       "      <th>Shock haemorrhagic</th>\n",
       "      <th>Haemorrhagic stroke</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>6-Aminocaproic Acid</td>\n",
       "      <td>ANTI-INHIBITOR COAGULANT COMPLEX</td>\n",
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       "      <th>1</th>\n",
       "      <td>6-Aminocaproic Acid</td>\n",
       "      <td>Albumin Human, USP</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>6-Aminocaproic Acid</td>\n",
       "      <td>Albuterol</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
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       "      <td>0</td>\n",
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       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>6-Aminocaproic Acid</td>\n",
       "      <td>Aprotinin</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>...</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>6-Aminocaproic Acid</td>\n",
       "      <td>Azacitidine</td>\n",
       "      <td>0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>0</td>\n",
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       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18111</th>\n",
       "      <td>zoledronic acid</td>\n",
       "      <td>trastuzumab</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18112</th>\n",
       "      <td>zoledronic acid</td>\n",
       "      <td>urapidil</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18113</th>\n",
       "      <td>zoledronic acid</td>\n",
       "      <td>vitamin D3</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18114</th>\n",
       "      <td>zotepine</td>\n",
       "      <td>Magnesium Oxide</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18115</th>\n",
       "      <td>zotepine</td>\n",
       "      <td>Methotrimeprazine</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>...</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>18116 rows × 966 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "                     Drug1                             Drug2  Arthralgia  \\\n",
       "0      6-Aminocaproic Acid  ANTI-INHIBITOR COAGULANT COMPLEX           0   \n",
       "1      6-Aminocaproic Acid                Albumin Human, USP           0   \n",
       "2      6-Aminocaproic Acid                         Albuterol           0   \n",
       "3      6-Aminocaproic Acid                         Aprotinin           0   \n",
       "4      6-Aminocaproic Acid                       Azacitidine           0   \n",
       "...                    ...                               ...         ...   \n",
       "18111      zoledronic acid                       trastuzumab           1   \n",
       "18112      zoledronic acid                          urapidil           1   \n",
       "18113      zoledronic acid                        vitamin D3           1   \n",
       "18114             zotepine                   Magnesium Oxide           1   \n",
       "18115             zotepine                 Methotrimeprazine           1   \n",
       "\n",
       "       Diarrhoea  Headache  Vomiting  Dyspepsia  Renal impairment  Cough  \\\n",
       "0              0         0         0          0                 0      0   \n",
       "1              0         0         0          0                 1      0   \n",
       "2              1         0         0          0                 1      0   \n",
       "3              1         0         0          0                 1      0   \n",
       "4              1         0         0          0                 1      0   \n",
       "...          ...       ...       ...        ...               ...    ...   \n",
       "18111          1         1         1          1                 1      1   \n",
       "18112          1         1         1          1                 1      1   \n",
       "18113          1         1         1          1                 1      1   \n",
       "18114          1         1         1          1                 1      1   \n",
       "18115          1         1         1          1                 1      1   \n",
       "\n",
       "       Rhinorrhoea  ...  Hyperventilation  Pleuritic pain  Nail disorder  \\\n",
       "0                0  ...                 0               0              0   \n",
       "1                0  ...                 0               0              0   \n",
       "2                0  ...                 0               0              0   \n",
       "3                0  ...                 0               0              0   \n",
       "4                0  ...                 0               0              0   \n",
       "...            ...  ...               ...             ...            ...   \n",
       "18111            1  ...                 1               1              1   \n",
       "18112            1  ...                 1               1              1   \n",
       "18113            1  ...                 1               1              1   \n",
       "18114            1  ...                 1               1              1   \n",
       "18115            1  ...                 1               1              1   \n",
       "\n",
       "       Aneurysm  Thrombophlebitis  Hypertensive crisis  Pneumonia bacterial  \\\n",
       "0             0                 0                    0                    0   \n",
       "1             0                 0                    0                    0   \n",
       "2             0                 0                    0                    0   \n",
       "3             0                 0                    0                    0   \n",
       "4             0                 0                    0                    0   \n",
       "...         ...               ...                  ...                  ...   \n",
       "18111         1                 1                    1                    1   \n",
       "18112         1                 1                    1                    1   \n",
       "18113         1                 1                    1                    1   \n",
       "18114         1                 1                    1                    1   \n",
       "18115         1                 1                    1                    1   \n",
       "\n",
       "       Hepatocellular injury  Shock haemorrhagic  Haemorrhagic stroke  \n",
       "0                          0                   0                    0  \n",
       "1                          0                   0                    0  \n",
       "2                          0                   0                    0  \n",
       "3                          0                   0                    0  \n",
       "4                          0                   0                    0  \n",
       "...                      ...                 ...                  ...  \n",
       "18111                      1                   1                    1  \n",
       "18112                      1                   1                    1  \n",
       "18113                      1                   1                    1  \n",
       "18114                      1                   1                    1  \n",
       "18115                      1                   1                    1  \n",
       "\n",
       "[18116 rows x 966 columns]"
      ]
     },
     "execution_count": 43,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "ts"
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   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
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