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数据与复现
ZI
ZINC
维护者 K-Dense Inc. · 最近更新 2026年4月1日
ZINC is a freely accessible repository of 230M+ purchasable compounds maintained by UCSF. Search by ZINC ID or SMILES, perform similarity searches, download 3D-ready structures for docking, discover analogs for virtual screening and drug discovery.
原始来源
K-Dense-AI/claude-scientific-skills
https://github.com/K-Dense-AI/claude-scientific-skills/tree/main/scientific-skills/zinc-database
- 维护者
- K-Dense Inc.
- 许可
- Unknown
- 最近更新
- 2026年4月1日
技能摘要
来自 SKILL.md 的关键信息
适用场景
- Use ZINC ，用于 medicinal chemistry 、 drug-discovery work。
- Apply ZINC to compound，target，或 screening workflows。
- **Virtual screening**：Finding compounds ，用于 molecular docking studies。
- **Lead discovery**：Identifying commercially-available compounds ，用于 drug development。
不适用场景
- Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。
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