Tag

#SHAP

2 articles

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

This article explains how a scaffold-split Random Forest QSAR model, combined with tools like ChEMBL, RDKit, SHAP, and BRICS, can autonomously identify and design novel EGFR inhibitors, demonstrating advanced AI applications in drug discovery.

Jul 67

A Coding Guide Implementing SHAP Explainability Workflows with Explainer Comparisons, Maskers, Interactions, Drift, and Black-Box Models

A new tutorial from MarkTechPost provides a comprehensive guide to implementing SHAP explainability workflows, comparing various explainers and exploring advanced techniques like interactions and model drift detection.

May 1743