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Code and Datasets for the paper "A deep learning framework for drug repurposing via emulating clinical trials on real-world patient data", published on Nature Machine Intelligence in 2021.

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DeepIPW

1. Introduction

A computational framework for drug repurposing from real-world data. DeepIPW: Deep Inverse Propensity Weighting.

2. System requirement

OS: Ubuntu 16.04

GPU: NVIDIA 1080ti (11GB memory) is minimum requirement. We recommend NVIDIA TITAN RTX 6000 GPUs.

3. Dependencies

Python 3.6
Pytorch 1.2.0
Scipy 1.3.1
Numpy 1.17.2
Scikit-learn 0.22.2

4. Preprocessing data

Running example

cd preprocess
python run_preprocess.py

Parameters

  • --min_patients, minimum number of patients for each cohort.
  • --min_prescription, minimum times of prescriptions of each drug.
  • --time_interval, minimum time interval for every two prescriptions.
  • --followup, number of days of followup period.
  • --baseline, number of days of baseline period.
  • --input_pickles, data pickles.
  • --save_cohort_all, save path.

5. DeepIPW model

Bash command

bash run_lstm.sh

Python command

cd deep-ipw
python main.py

Parameters

  • --data_dir, input cohort data
  • --pickles_dir, pickles file.
  • --treated_drug_file, current evaluating drug.
  • --controlled_drug, sampled controlled drugs (randomly sampling or ATC class).
  • --controlled_drug_ratio, ratio of the number of controlled drug.
  • --input_pickles, data pickles.
  • --random_seed.
  • --batch_size.
  • --diag_emb_size.
  • --med_emb_size.
  • --med_hidden_size.
  • --diag_hidden_size.
  • --learning_rate.
  • --weight_decay.
  • --epochs
  • --save_model_filename.
  • --outputs_lstm.
  • --outputs_lr.
  • --save_db.

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Code and Datasets for the paper "A deep learning framework for drug repurposing via emulating clinical trials on real-world patient data", published on Nature Machine Intelligence in 2021.

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