Medchem
Skill Verifiziert AktivMedicinal 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.
Funktionen
- 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
Anwendungsfälle
- 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
Nicht-Ziele
- Providing definitive pass/fail judgments on drug viability
- Replacing expert domain knowledge
- Predicting in vivo properties beyond rule-based assessments
Installation
npx skills add K-Dense-AI/claude-scientific-skillsFührt das Vercel skills CLI (skills.sh) via npx aus — benötigt Node.js lokal und mindestens einen installierten skills-kompatiblen Agent (Claude Code, Cursor, Codex, …). Setzt voraus, dass das Repo dem agentskills.io-Format folgt.
Qualitätspunktzahl
VerifiziertVertrauenssignale
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