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.

약용 화학 필터. 화합물 우선순위 지정 및 라이브러리 필터링을 위해 약물 유사성 규칙(Lipinski, Veber), PAINS 필터, 구조적 경고, 복잡성 측정항목을 적용합니다. 출처: ovachiever/droid-tings.

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