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tox21

Here are 7 public repositories matching this topic...

filipsPL / tox21_dataset

Datasets used in the tox21 challenge

challenge machine-learning fingerprints dataset compound virtual-screening prioritization toxicity tox21

Updated Nov 6, 2019

YoucefBYu / Drug-descovery-project

With the rise of deep learning models and the successful result showing in different domains (such as Computer vision and Natural language processing)researchers and laboratories of chem-informatics try to apply these techniques in drug design and discovery. recently,the application of Deep Learning in this area of research has made a good progr…

deep-neural-networks notebook tensorflow numpy machine-learning-algorithms keras google-drive pandas seaborn rdkit scikit-multilearn plt pydrive colab-notebook tox21 deepchem auc-tr auc-test

Updated Aug 16, 2020

UnixJunkie / deepchem-playground

some scripts using deepchem

deep-learning classification chemoinformatics early-stopping tox21 deepchem toxicity-prediction

Updated Nov 19, 2019
Python

biobricks-ai / toxcast

EPA data on 1,800 chemicals across 700+ assay endpoints

brick epa high-throughput-screening tox21 computational-toxicology

Updated Apr 12, 2024
R

biobricks-ai / tox21

Tox21 quantitative high throughput screening (qHTS) 10K library data

brick epa high-throughput-screening tox21 comptox

Updated Apr 19, 2024
Clojure

dinabandhu50 / PROJECT_tox21

Multi-label classification problem.

machine-learning xgboost scikit-multilearn multilabel-classification tox21

Updated Jun 10, 2021
Jupyter Notebook

djoy4stem / tox_21_qsar

Descriptive analysis and QSAR modelling for tox_21 datasets

nlp deep-learning cheminformatics random-forest classification rdkit lstm-neural-networks lime qsar toxicity xai shap tox21

Updated Nov 7, 2024
Jupyter Notebook

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