Individual skill
zinc-database
Access the ZINC (230M+ purchasable compounds) database when you need to look up compounds by ZINC ID/SMILES, run similarity/analog searches, or download 3D ready-to-dock structures for virtual screening and drug discovery.
scientific-skills/Evidence Insight/zinc-database/SKILL.md
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- Last checked
- Nov 9, 2026
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- Repository last updated
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- License
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- bioinformatics Repository topic
- computational-biology Repository topic
- data-analysis Repository topic
- ai Repository topic
- biology Repository topic
- cancer-genomics Repository topic
- data-visualization Repository topic
- differential-expression Repository topic
- genomics Repository topic
- medical Repository topic
- data Derived category
- data-databases Derived category
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SKILL.mdcore · 7,664 bytesSKILL.mdcore · 7,664 bytesSKILL.mdcore · 7,664 bytesSKILL.mdcore · 7,664 bytesreferences/api_reference.mddoc · 20,479 byteszinc-database_audit_result_v1.jsonasset · 12,133 bytes
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> **Source**: [https://github.com/aipoch/medical-research-skills](https://github.com/aipoch/medical-research-skills)
## When to Use
Use this skill when you need to:
1. **Build a virtual screening library** by sampling purchasable compounds (e.g., fragment/lead-like/drug-like subsets).
2. **Retrieve compounds by identifier** (ZINC ID) for follow-up analysis, procurement, or reporting.
3. **Search by structure (SMILES)** to find exact matches or **analogs** via similarity thresholds.
4. **Validate supplier availability** by querying supplier/catalog identifiers and mapping them to ZINC entries.
5. **Download docking-ready 3D structures** (e.g., MOL2/SDF/DB2) organized by ZINC tranches for docking pipelines.
## Key Features
- **ZINC22 access** (CartBlanche22 web + API) for large-scale purchasable chemical space.