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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
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