Medchem
Overview
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.
When to Use This Skill
This skill should be used when:
- Applying drug-likeness rules (Lipinski, Veber,
[Description truncada. Veja o README completo no GitHub.]