AIMarkTechPostabout 2 hours ago
AI Co-Scientist for EGFR Inhibitor Discovery
16 min read
A tutorial builds an autonomous AI co-scientist workflow for EGFR inhibitor discovery targeting the C797S osimertinib-resistance mutation. The pipeline mines ChEMBL IC50 data, trains a scaffold-split Random Forest QSAR model, interprets features with SHAP, and generates novel analogs via BRICS fragment recombination.
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