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Medchem is a specialized cheminformatics skill that provides a robust suite of tools for molecular filtering and prioritization based on established medicinal chemistry principles. It enables researchers to apply drug-likeness rules such as Lipinski’s Rule of Five, detect structural alerts including PAINS patterns, and calculate molecular complexity metrics using a high-performance Python framework. By integrating these capabilities into Claude's workflow, users can efficiently triage large compound libraries, assess lead optimization candidates, and detect problematic functional groups using production-ready patterns and a specialized query language.
