ZINC 12

Dataset Identification:

Resource Abstract:
The ZINC Database contains commercially available compounds for structure based virtual screening. It currently has about 21 million compounds that can simply be purchased. It is provided in ready-to-dock, 3D formats with molecules represented in biologically relevant forms. It is available in subsets for general screening as well as target-, chemotype- and vendor-focused subsets. ZINC is free for everyone to use and download at the website zinc.docking.org. This database and service is provided by the Shoichet Laboratory in the Department of Pharmaceutical Chemistry at the University of California San Francisco (UCSF).
Citation
Title ZINC 12
publication  Date   2007
Keywords:
Theme keywords (theme):
301 Molecular Chemistry
31 Chemistry
3 Natural Sciences
thesaurus name >
Title DFG
Location keywords:
pharmaceutical chemistry
pharmaceutical products
Theme keywords (theme):
restricted
thesaurus name >
Title re3 Deposit
publication  Date   2015-01-01
Theme keywords (theme):
Molecule
thesaurus name >
Title Material > Chemical
publication  Date   2017-03-28
other Citation Details  Cinergi keyword enhanced.File generated at Tue Mar 28 19:46:53 UTC 2017
Theme keywords (theme):
University of California
Department of Pharmaceutical Chemistry
National Institute of General Medical Sciences
thesaurus name >
Title Virtual International Authority File (VIAF) Corporate Names
publication  Date   2017-03-28
other Citation Details  Cinergi keyword enhanced.File generated at Tue Mar 28 19:46:53 UTC 2017
Theme keywords (theme):
Chemistry
thesaurus name >
Title Science Domain > Chemistry
publication  Date   2017-03-28
other Citation Details  Cinergi keyword enhanced.File generated at Tue Mar 28 19:46:53 UTC 2017
Resource language:  true
Constraints on resource usage:
Constraints
Use limitation statement:
Disclaimer - While every effort has been made to ensure that these data are accurate and reliable within the limits of the current state of the art, NOAA cannot assume liability for any damages caused by any errors or omissions in the data, nor as a result of the failure of the data to function on a particular system. NOAA makes no warranty, expressed or implied, nor does the fact of distribution constitute such a warranty.
Constraints on resource usage:
Legal Constraints
Access Constraints  otherRestrictions
use constraint:  otherRestrictions
Other constraints
WMO Essential
Additional information on resource:
point of contact - custodian
organisation Name  University of California, San Fransico; Department of Pharmaceutical Chemistry
point of contact - custodian
organisation Name  National Institute of General Medical Sciences
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Resource distribution information

Format
Format name Resource URL
Format version 
Format
Format name API
Format version 
Format
Format name Syndication Feed RSS
Format version 
Digital Transfer Options
Linkage for online resource
name Repository URL
URL: http://zinc.docking.org/
link function information
Digital Transfer Options
Linkage for online resource
name Syndication Feed
URL: http://docking.org/rss.xml
link function information
Digital Transfer Options
Linkage for online resource
name API
URL: 
link function download

Metadata data stamp:  
Metadata contact - pointOfContact
organisation Name  Earthcube CINERGI Metadata Pipeline
position Name CINERGI Metadata Contact
Contact information
Address
electronic Mail Address metadata@earthcube.org
Metadata scope code  service
Metadata language  en
standard version:  2003
Metadata record identifier:  r3d100010372
URI for dataset described: > http://zinc.docking.org/

Metadata record format is ISO19139-2 XML (MI_Metadata)