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1. Smiles2vec Smiles2vec Public

   Proof of the concept implementation of smiles2vec paper

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2. Chemception Chemception Public

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3. CardioTox CardioTox Public

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4. HybridTox2D HybridTox2D Public

   In recent times, toxicological classification of chemical compounds is considered to be a grand challenge for pharma-ceutical and environment regulators. Advancement in machine learning techniques …

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5. 50_layer_Resnet 50_layer_Resnet Public

   50 Layer Resnet to predict the regression values of Tetrahymena pyriformis IGC50 from 2d molecular images only

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6. HPE HPE Public

   Heterogeneous Predictors Ensembling for Quantitative Toxicity Prediction

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