Difference between revisions of "ZINC Database"
From Rizzo_Lab
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| − | The [http://zinc.docking.org/ | + | The [http://zinc.docking.org/ ZINC12 database] contains about 8 million compounds for virtual screening. |
== ZINC Diversity Set == | == ZINC Diversity Set == | ||
Latest revision as of 10:18, 27 October 2016
The ZINC12 database contains about 8 million compounds for virtual screening.
ZINC Diversity Set
Those who are doing virtual screening can start with the ZINC 60% lead-like diversity set available 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 ZINC:FAQ
