ddi-prediction

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AdemolaTolulope / cyp-inhibition-profiler

Research-grade CYP450 direct-inhibition profiler — 16-model XGB/LGBM ensemble with cyberpunk interactive UI for pIC50 prediction, DDI risk, Lipinski, PAINS, bioavailability (OpenADMET challenge)

flask machine-learning cheminformatics xgboost drug-discovery lightgbm rdkit pharmacokinetics pains admet cyberpunk-ui bioavailability lipinski cyp450 openadmet ddi-prediction scaffold-cv

Updated Sep 17, 2026
Python

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