Difference between revisions of "ZINC15 Database"
From Rizzo_Lab
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== How to download molecules by catalog? == | == How to download molecules by catalog? == | ||
A general stepwise instruction can be found at [http://wiki.docking.org/index.php/Download_by_catalog/ Download by catalog] | A general stepwise instruction can be found at [http://wiki.docking.org/index.php/Download_by_catalog/ Download by catalog] | ||
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If you would like to download compounds from '''ChemDiv''', | If you would like to download compounds from '''ChemDiv''', | ||
Revision as of 13:37, 27 October 2016
The ZINC15 database is an updated version of ZINC12 and contains over 100 million purchasable compounds for virtual screening.
How to download molecules by catalog?
A general stepwise instruction can be found at Download by catalog
If you would like to download compounds from ChemDiv,
The ZINC ID mapping:
http://files.docking.org/catalogs/50/cdiv/cdiv-zinc.txt.gz
The lead-like tranche:
http://files.docking.org/catalogs/50/cdiv/lead-like.tgz
