toxicitychecker
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toxicitychecker [2012/12/15 15:11] – created rkiss | toxicitychecker [2013/01/13 13:34] – flack | ||
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====== Toxicity checker ====== | ====== Toxicity checker ====== | ||
+ | * Searching for substructures commonly found in toxic and promiscuous ligands | ||
+ | * Based on more than 100 SMARTS toxic matching rules | ||
+ | * Reject problematic compounds to avoid toxicity, selectivity and pharmacokinetic issues in further development |
toxicitychecker.txt · Last modified: 2013/10/11 08:41 by rkiss