pic50

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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

dataRichinsightPoor / censored-potency

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Report an assay-supported IC50 bound when a dose-response series does not bracket its midpoint. Fixed-seed simulations quantifying how far a plateau-constrained fit can move a reported potency.

reproducible-research pharmacology curve-fitting drug-discovery dose-response ic50 assay-development pic50

Updated Sep 16, 2026
Python

HazratMaghaz / QSAR-IC50-Prediction-RDKit-SHAP

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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
Jupyter Notebook

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