Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and…
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 or problematic functional groups Calculating molecular complexity metrics Installation
don't have the plugin yet? install it then click "run inline in claude" again.