Kiruthiga Natarajan

Decoding the Molecular Target Landscape of Chalcones: An Integrated Cheminformatics Analysis Using PubChem Patent Data, Protein Target Profiling, and Bioassay Activity Mapping.

BACKGROUND Chalcones are α,β-unsaturated ketone scaffolds with broad documented bioactivity. No prior study has simultaneously integrated structural validation, PAINS assessment, chemical-space clustering, human-target classification, bioassay hit-rate benchmarking, and patent analysis within a single computational fra...