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toxicitychecker

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toxicitychecker [2012/12/15 16:11]
rkiss created
toxicitychecker [2013/01/13 14:34]
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 ยท Last modified: 2013/10/11 10:41 by rkiss