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.

Filtres de chimie médicinale. Appliquez des règles de ressemblance avec les médicaments (Lipinski, Veber), des filtres PAINS, des alertes structurelles, des mesures de complexité, pour la priorisation des composés et le filtrage des bibliothèques. Source : ovachiever/droid-tings.

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