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1. Drug-Likeness_Calculator Drug-Likeness_Calculator Public

   Drug-likeness calculator combining medicinal chemistry rules (Lipinski Ro5, Ro3, Veber, Ghose) with a Graph Neural Network for solubility prediction.

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2. BACE1_binding_affinity_scaffold_evaluation BACE1_binding_affinity_scaffold_evaluation Public

   QSAR pipeline for BACE1 binding affinity prediction comparing random vs scaffold-based evaluation using Morgan fingerprints, Random Forest and LightGBM

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