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.

Filter für medizinische Chemie. Wenden Sie Medikamentenähnlichkeitsregeln (Lipinski, Veber), PAINS-Filter, Strukturwarnungen und Komplexitätsmetriken für die Priorisierung von Verbindungen und die Filterung von Bibliotheken an. Quelle: ovachiever/droid-tings.

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