Curated cheminformatics analysis of mutant-selective and covalent EGFR inhibitors using ChEMBL bioactivity data, RDKit descriptors, mutation-context labelling, warhead annotation and scaffold analysis.

End-to-end cheminformatics pipeline for ALK tyrosine kinase inhibitor analysis — fingerprinting, clustering, ML activity prediction, scaffold analysis, and network visualization

Scaffold-aware cheminformatics analysis of public BTK inhibitor bioactivity data using RDKit descriptors, LipE, covalent-warhead annotation and grouped model validation.