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toxicitychecker

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toxicitychecker [2013/01/13 14:34]
flack
toxicitychecker [2013/10/11 10:41] (current)
rkiss
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-====== ​Toxicity checker ​======+====== ​TOXICITY CHECKER ​======
  
   * Searching for substructures commonly found in toxic and promiscuous ligands   * Searching for substructures commonly found in toxic and promiscuous ligands
   * Based on more than 100 SMARTS toxic matching rules   * Based on more than 100 SMARTS toxic matching rules
   * Reject problematic compounds to avoid toxicity, selectivity and pharmacokinetic issues in further development   * 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