Medchem
技能 已验证 活跃Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.
To efficiently screen and prioritize compound libraries in drug discovery by applying established medicinal chemistry rules and filters.
功能
- Apply drug-likeness rules (Lipinski, Veber, Oprea)
- Filter by structural alerts and PAINS patterns
- Detect chemical groups and functional moieties
- Calculate molecular complexity metrics
- Apply custom property-based constraints
使用场景
- Applying drug-likeness rules to compound libraries
- Filtering molecules by structural alerts or PAINS patterns
- Prioritizing compounds for lead optimization
- Detecting reactive or problematic functional groups
非目标
- Providing definitive pass/fail judgments on drug viability
- Replacing expert domain knowledge
- Predicting in vivo properties beyond rule-based assessments
安装
npx skills add K-Dense-AI/claude-scientific-skills通过 npx 运行 Vercel skills CLI(skills.sh)— 需要本地安装 Node.js,以及至少一个兼容 skills 的智能体(Claude Code、Cursor、Codex 等)。前提是仓库遵循 agentskills.io 格式。
质量评分
已验证类似扩展
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