medchem
CommunityMedicinal chemistry filters to triage compound libraries.
Authorjackspace
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill helps chemists apply drug-likeness rules, PAINS filters, and structure-based alerts to prune libraries and prioritize compounds for screening.
Core Features & Use Cases
- Drug-likeness rules: Ro5, Veber, CNS, leadlike, etc.
- Structural alerts & PAINS: Detect problematic patterns.
- Complexity metrics & constraints: Calculate and filter by molecular properties.
- Workflows: Batch filtering, library triage, and catalog lookups.
Quick Start
Run a prebuilt filtering script to screen a compound library and export results.
Dependency Matrix
Required Modules
None requiredComponents
references
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: medchem Download link: https://github.com/jackspace/ClaudeSkillz/archive/main.zip#medchem Please download this .zip file, extract it, and install it in the .claude/skills/ directory.