Difference between revisions of "ZINC15 Database"
From Rizzo_Lab
(→How to download molecules by catalog?) |
(→How to download molecules by catalog?) |
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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] | ||
| − | If you would like to download compounds from '''ChemDiv''', | + | If you would like to download compounds from '''ChemDiv''', |
| + | The ZINC ID mapping: | ||
http://files.docking.org/catalogs/50/cdiv/cdiv-zinc.txt.gz | 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 | http://files.docking.org/catalogs/50/cdiv/lead-like.tgz | ||
== References == | == References == | ||
Revision as of 13:36, 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
