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

Public ligand bioactivity analysis of HADHA and ENO1 using RDKit and baseline machine learning

Auditable ChEMBL-derived benchmark for coumarin bioactivity with organism-aware target-family mapping, QSAR-readiness assessment, activity-landscape analysis, and reproducible release materials.