Building a Scaffold-Split Random Forest QSAR Co-Scientist for EGFR Inhibitor Discovery Using ChEMBL, RDKit, SHAP, and BRICS

Researchers have developed an automated computational workflow to identify potential chemical inhibitors for the EGFR C797S protein mutation. By combining open-source drug databases with machine learning models, the system filters molecular structures to predict pharmacological activity, offering a streamlined method for early-stage cancer drug discovery.