Journal of Chemical Information and Modeling· 2012Q1
ZINC: A Free Tool to Discover Chemistry for Biology
- 2,576citations
- Q1SCImago
- 2012year
Short summary
ZINC is a free, publicly available database containing over 20 million commercially available molecules, designed for ligand discovery in biological research.
AI-generated from the title and abstract; the full text is not read.
Key points
- Contains over 20 million commercially available molecules.
- Molecules are in biologically relevant representations and ready-to-dock formats.
- Supports searches by structure, biological activity, physical property, vendor, and more.
- Enables creation, editing, sharing, and downloading of custom molecule subsets.
- Maintained for a high purchasing success rate and is freely accessible.
AI-generated from the title and abstract; the full text is not read.
Abstract
ZINC is a free public resource for ligand discovery. The database contains over twenty million commercially available molecules in biologically relevant representations that may be downloaded in popular ready-to-dock formats and subsets. The Web site also enables searches by structure, biological activity, physical property, vendor, catalog number, name, and CAS number. Small custom subsets may be created, edited, shared, docked, downloaded, and conveyed to a vendor for purchase. The database is maintained and curated for a high purchasing success rate and is freely available at zinc.docking.org.
The authors' abstract, as published at the source. Journal of Chemical Information and Modeling, 2012 · DOI ↗
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Field: Computational Theory and Mathematics
Computational Theory and MathematicsComputer Science