This repository contains code/data for extraction of entities and relationships from scientific literature for the purposes of a systematic review. The code is based on a previous project extracting chemical reactions from scientific literature.
- pytorch (>=1.5.0)
- transformers (tested on v3.0.2)
- tqdm (>=4.36.0)
- numpy (>=1.18.0)
- seqeval
git clone https://github.com/TakedaGME/MedTrialExtractor
cd ChemRxnExtractor
pip install -r requirements.txt
pip install -e .
Download the trained models: cre_models_v0.1.tgz, and extract to the current directory:
tar zxvf cre_models_v0.1.tgz
Using RxnExtractor in your code:
from medtrialextractor import RxnExtractor
model_dir="models" # directory saving both prod and role models
rxn_extractor = RxnExtractor(model_dir)
# test_file contains texts line by line
with open(test_file, "r") as f:
sents = f.read().splitlines()
rxns = rxn_extractor.get_reactions(sents)
model_dir
points to the directory of the trained models (e.g., cre_models_v0.1
).
test_file
has an independent paragraph/sentence each line (e.g., tests/sample_data/raw.txt
). See pipeline.py
for more details.
GPU is used as the default device, please ensure that you have at least >5G allocatable GPU memory.
Preprocessing: We recommend using the ChemDataExtractor toolkit for the preprocessing of chemical documents in PDF format, such as PDF parsing, sentence segmentation, and tokenization.
Our model is greatly benefited from a domain-adaptively pre-trained model named ChemBERT. To train a new model on your own datasets, download ChemBERT v3.0, and extract to a local directory.
We provide scripts to train new models (product/role extraction) using your own data. We also plan to release our training data in the near future.
Your training data should contain texts (sequences of tokens) and known target labels.
We follow conventional BIO-tagging scheme, where B-{type}
indicates the Beginning of a specific entity type (e.g., Prod, Reactants, Solvent), and I-{type}
means the Inside of an entity.
The train/dev/test files have the same CoNLL-style format:
The\O
main\O
objective\O
of\O
the\O
18\O
-\O
month\O
,\O
randomised\O
,\O
active\O
-\O
controlled\O
ATTRACT\O
study\O
was\O
to\O
assess\O
the\O
effects\O
of\O
migalastat\B-drug
on\O
renal\O
function\O
in\O
patients\O
with\O
Fabry\B-disease
disease\I-disease
.\O
The tokens are in the first column, and the target labels are in the second columns.
To train or evaluate a product extraction model, run:
python train.py <task> <config_path>|<options>
where <task>
is either "prod" or "role" depending on the task of interest, <config_path>
is a json file containing required hyper-parameters such as the paths to the model and the data; <options>
are instead explicitly-specified hyper-parameters.
For example:
python train.py prod configs/prod_train.json
Configure configs/prod_train.json
to turn on/off the train/eval modes.
Performance of the provided trained models on our test set (tests/sample_data/<task>/test.txt
):
Entity recognition performance across machine learning models
Model Relaxed Strict
Precision, % Recall, % F1 score, % Precision, % Recall, % F1 score, %
SLR 1
BiLSTM+linear 68.1 58.8 63.0 45.5 39.3 42.1
BiLSTM+CRF 74.9 53.4 62.2 53.0 37.8 44.0
BERT+linear 67.3 66.8 67.0 46.3 45.7 46.0
BERT+CRF 73.5 64.5 68.7 52.3 45.8 48.8
Pretrained BERT+linear 68.1 71.7 69.8 47.5 49.8 48.6
Pretrained BERT+CRF 74.0 71.9 72.8 53.3 51.7 52.4
SLR 2
BiLSTM+linear 69.2 58.0 63.1 46.9 44.6 45.7
BiLSTM+CRF 73.3 56.3 63.4 55.3 42.2 47.7
BERT+linear 59.2 60.8 59.1 43.7 44.6 43.4
BERT+CRF 65.6 58.3 60.7 50.3 44.5 46.4
Pretrained BERT+linear 62.5 66.6 63.7 46.9 49.8 47.8
Pretrained BERT+CRF 69.7 70.5 69.5 55.8 56.0 55.4
BERT, bidirectional encoder representations from transformers; BiLSTM, bidirectional long-short-term memory; CRF, conditional random field; SLR, systematic literature review.
To generate predictions for unlabeled inputs (see tests/sample_data/<task>/inputs.txt
for the format of unlabeled inputs), run:
python predict.py <task> <config_json>
For example:
python predict.py prod configs/prod_predict.json
Please contact https://www.linkedin.com/in/antonia-electra-panayi-ab81076/ should you have any questions, comments or suggestions.