ZINC Database: Difference between revisions
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The ZINC Database of commercially available compounds for virtual screening is available for free from our website [http://zinc.docking.org zinc.docking.org]. | |||
[ | == Revision History == | ||
* ZINC5 was released 1/1/2005 and is still available at [http://blaster.docking.org/zinc5/ blaster.docking.org/zinc5] ZINC5 was a major release, and completely superceded ZINC4, which is no longer available. | |||
* ZINC6 was released 1/1/2006 and is still available at [http://blaster.docking.org/zinc6/ blaster.docking.org/zinc6]. ZINC6 was a major release, in which all molecular geometries were re-created from SMILES. | |||
* ZINC7 was released 1/1/2007 and is the current default version. It is an incremental release compared to ZINC6. Indeed, it looks very much like ZINC6. | |||
* ZINC8 is scheduled for release 1/1/2008 and will probably be an incremental release. | |||
=== Frequency of Updates === | |||
=== More About ZINC Versions === | |||
== How to Cite ZINC == | |||
== Frequently Asked Questions == | |||
* duplication | |||
* filtering rules | |||
* missing molecules | |||
* | |||
== Filtering Rules == | |||
== Known Problems == | |||
== Missing Molecules == | |||
== ZINC Protocols == | |||
=== Protocol 1. Searching ZINC === | |||
=== Protocol 2. Downloading from ZINC === | |||
=== Protocol 3. Searching for similar molecules === | |||
== About ZINC Numbering == | |||
== Mailing Lists == | |||
== Subsets == | |||
== Uploading == | |||
== Using the XML RPC interface == | |||
== History == | |||
Revision as of 20:45, 12 December 2006
The ZINC Database of commercially available compounds for virtual screening is available for free from our website zinc.docking.org.
Revision History
- ZINC5 was released 1/1/2005 and is still available at blaster.docking.org/zinc5 ZINC5 was a major release, and completely superceded ZINC4, which is no longer available.
- ZINC6 was released 1/1/2006 and is still available at blaster.docking.org/zinc6. ZINC6 was a major release, in which all molecular geometries were re-created from SMILES.
- ZINC7 was released 1/1/2007 and is the current default version. It is an incremental release compared to ZINC6. Indeed, it looks very much like ZINC6.
- ZINC8 is scheduled for release 1/1/2008 and will probably be an incremental release.
Frequency of Updates
More About ZINC Versions
How to Cite ZINC
Frequently Asked Questions
- duplication
- filtering rules
- missing molecules