toxicitychecker
Differences
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| toxicitychecker [2013/01/13 13:34] – flack | toxicitychecker [2013/10/11 08:41] (current) – rkiss | ||
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| * 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 · Last modified: 2013/10/11 08:41 by rkiss