[OTDev] Classified + Urgent
Rajarshi Guha rajarshi.guha at gmail.comSun Jul 11 16:15:11 CEST 2010
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On Sun, Jul 11, 2010 at 10:13 AM, Nina Jeliazkova <jeliazkova.nina at gmail.com> wrote: > On Sun, Jul 11, 2010 at 5:07 PM, Rajarshi Guha <rajarshi.guha at gmail.com>wrote: > >> >> On Jul 11, 2010, at 9:21 AM, Nina Jeliazkova wrote: >> Yes, it could be done this way. But I think that image is derived by a >> Kekulization step - the CDK isn't doing that explicitly > > > > For the record - CDK DeduceBondTool doesn't succeed t derive the Kekule > representation , if called explicitly. Aah, that would be a bug -- Rajarshi Guha NIH Chemical Genomics Center
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