toxicitychecker
Differences
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| toxicitychecker [2012/12/15 15:11] – created rkiss | toxicitychecker [2013/10/11 08:41] (current) – rkiss | ||
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| + | * 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