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词条 ZINC database
释义

  1. Scope and access

  2. Curation and updates

  3. Version

  4. See also

  5. External links

{{sources |date=April 2018}}{{infobox biodatabase
|logo =
|description = Chemical database
|scope = Commercially available and annotated small molecules for virtual screening
|organism =
|center = University of California San Francisco
|laboratory = {{color box|#88bbbb}} Irwin Lab
{{color box|#88bbbb}} Shoichet Lab
|author = John Irwin, Brian Shoichet, and a cast of several
|released = 2004
|standard =
|format =
|url = ZINC
|pmid = 26479676
|download =
|webservice =
|sql =
|sparql =
|webapp =
|standalone =
|license = ZINC is free to use for everyone. Redistribution of significant subsets requires written permission from the authors.
|versioning = ZINC15
|frequency = continuously updated; static subsets regenerated quarterly or better.
|curation = continuously curated
}}

The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists) in pharmaceutical companies,

biotech companies,

and research universities.

Scope and access

ZINC is different from other chemical databases because it aims to represent the biologically relevant, three dimensional form of the molecule.

Curation and updates

ZINC is updated regularly and may be downloaded and used free of charge. It is developed by John Irwin in the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California, San Francisco.

Version

The latest release of the website interface is "ZINC 15" (2015). The previous website was at ZINC, but the maintainers recommend moving to ZINC15 because of its better search capabilities. The database contents are continuously updated.

Zinc Database is not available (Décembre 2018) as thé website is closed).

See also

  • PubChem a database of small molecules from the chemical and biological literature, hosted by NCBI
  • ChEMBL, a database of information about medicinal chemistry and biological activities of small molecules.

External links

  • ZINC database
{{DEFAULTSORT:Zinc Database}}

2 : Chemical databases|Biological databases

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