Medchem

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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, etc.) to compound libraries Filtering molecules by structural alerts or PAINS patterns Prioritizing compounds for lead optimization Assessing compound quality and medicinal chemistry properties Detecting reactive …