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.

Filtros de química medicinal. Aplique reglas de similitud con medicamentos (Lipinski, Veber), filtros DOLORES, alertas estructurales, métricas de complejidad para priorización de compuestos y filtrado de bibliotecas. Fuente: jackspace/claudeskillz.

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