01:43
2026-07-07
marktechpost.com
artificial-intelligence
Building a Scaffold-Split Random Forest QSAR Co-Scientist for EGFR Inhibitor Discovery Using ChEMBL, RDKit, SHAP, and BRICS
A tutorial demonstrates building an autonomous AI co-scientist for EGFR C797S inhibitor discovery using ChEMBL, RDKit, SHAP, and BRICS. The system mines IC50 data, trains a scaffold-split Random Fores…