Difference between revisions of "ZINC15 Database"

Revision as of 12:28, 27 October 2016

The ZINC15 database is an updated version of ZINC12 and contains over 100 million purchasable compounds for virtual screening.

A stepwise instruction can be found at

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 == How to download molecules by catalog? ==
-Those who are doing virtual screening can start with the ZINC 60% lead-like diversity set available at
+A stepwise instruction can be found at
- /home/sudipto/zinc/3_t60/zinc.lead-like.60.XX.mol2
-for the mathlab computers. These are already broken into roughly 1000 molecule chunks for convenient running on seawulf.
-There is a total of 19241 molecules in this set. The corresponding 70% diversity set is also available in the 3_t70 folder.
 == References ==
 * Downloading instructions adapted from [http://wiki.docking.org/index.php/Download_by_catalog/ Download by catalog]