[OTDev] Metabolite-structure prediction software requested
Gerard Pujadas gerard.pujadas at gmail.comTue Nov 24 13:13:27 CET 2009
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Dear OpenTox list members, sorry if this question is out-of-topic of this list .... I would like to transform a database of drugs (for instance, in SDF format) with good ADMET properties into another database (for instance, in SDF format too) that contains the predicted structures of the most probable human metabolites of the molecules in the input file. Is there such a software? Any help will be appreciated With many thanks in advances for your help Yours sincerely Best Gerard
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