http://wiki.docking.org/index.php?action=history&feed=atom&title=ZINC15%3AOptimizing_chemical_search 2026-05-25T14:03:34Z Revision history for this page on the wiki MediaWiki 1.39.1 http://wiki.docking.org/index.php?title=ZINC15:Optimizing_chemical_search&diff=9199&oldid=prev 2015-10-13T22:50:03Z

<p>adsf</p> <p><b>New page</b></p><div>Chemical search that uses complex SMARTS patterns, returns many molecules, or is otherwise complex, may require a long time to run. <br /> <br /> Here are tips to make long-running queries run faster:<br /> <br /> * use sort=no to turn off sorting. <br /> * use parallize=no (or yes) to explore whether parallelism helps<br /> * use duplicates=yes - can run faster if you remove duplicates yourself<br /> * specify additional constraints, for instance, if you are only interested in fda drugs, or in-vitro compounds, the constraints will make the query faster<br /> * specify range of ZINC IDs, thus zinc_id-between=100000,200000 and run in several tranches. Then you put the result together when complete. <br /> <br /> <br /> [[Category:ZINC15]]</div>

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