medchem

SKILL.md

Medchem is a Python library for molecular filtering and prioritization in drug discovery workflows. Apply hundreds of well-established and novel molecular filters, structural alerts, and medicinal chemistry rules to efficiently triage and prioritize compound libraries at scale. Rules and filters are context-specific—use as guidelines combined with domain expertise.

Apply established drug-likeness rules to molecules using the medchem.rules module.

Result Format: Results are returned as dictionaries with pass/fail status and detailed information for each rule.

药物化学过滤器。 Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering. 来源：jackspace/claudeskillz。

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