[OTDev] Metabolite-structure prediction software requested

Gerard Pujadas gerard.pujadas at gmail.com
Tue Nov 24 13:13:27 CET 2009


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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