pic50

Here are 2 public repositories matching this topic...

kamilpytlak / InhibiPro

🧪 InhibiPro - a web-based application for predicting the pharmacological activity of new drugs

machine-learning bioinformatics deep-learning drug-discovery chemoinformatics qsar drug-modeling streamlit ligand-receptor-interaction pic50

Updated Oct 19, 2024
PureBasic

HazratMaghaz / QSAR-IC50-Prediction-RDKit-SHAP

Star

AI-based QSAR pipeline for pIC50 prediction using molecular fingerprints, machine-learning model comparison, SHAP-ready interpretation, and applicability-domain diagnostics.

machine-learning cheminformatics scikit-learn drug-discovery rdkit qsar molecular-fingerprints shap pic50

Updated Jun 7, 2026
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