Hi, i was re-reading your answer and was wondering if you acutally answered the question: "if the fingerprint is a graph invariant". I was asking for something else: if the different CDK versions would produce the same fingerprint for the same molecule.
Regards, Till Am Mittwoch, 4. November 2015, 14:37:03 schrieb Till Schäfer: > thx for the fast answer. > > Viele Grüße > Till > > Am Mittwoch, 4. November 2015, 14:09:54 schrieb Egon Willighagen: > > Dear Till, > > > > neither. The default (oldest) CDK fingerprint is like the Daylight > > fingerprint (using the same approach), but is not meant to be > > identical. > > > > Grtz, > > > > Egon > > > > On Wed, Nov 4, 2015 at 2:05 PM, Till Schäfer > > <till2.schae...@tu-dortmund.de> wrote: > > > Hi, > > > i would like to know if the daylight fingerprint should be identical for > > > the latest CDK 1.4 and the latest CDK 1.5. Are there any changes, that > > > cause another ordering of the features, or some feature to be detected > > > differently? > > > > > > Regards, > > > Till > > > > > > -- > > > Dipl.-Inf. Till Schäfer > > > TU Dortmund University > > > Chair 11 - Algorithm Engineering > > > Otto-Hahn-Str. 14 / Room 237 > > > 44227 Dortmund, Germany > > > > > > e-mail: till.schae...@cs.tu-dortmund.de > > > phone: +49(231)755-7706 > > > fax: +49(231)755-7740 > > > web: http://ls11-www.cs.uni-dortmund.de/staff/schaefer > > > pgp: > > > https://keyserver2.pgp.com/vkd/SubmitSearch.event?&&SearchCriteria=0xD84DED79 > > > > > > ------------------------------------------------------------------------------ > > > _______________________________________________ > > > Cdk-user mailing list > > > Cdk-user@lists.sourceforge.net > > > https://lists.sourceforge.net/lists/listinfo/cdk-user > > > > > > > > > -- Dipl.-Inf. Till Schäfer TU Dortmund University Chair 11 - Algorithm Engineering Otto-Hahn-Str. 14 / Room 237 44227 Dortmund, Germany e-mail: till.schae...@cs.tu-dortmund.de phone: +49(231)755-7706 fax: +49(231)755-7740 web: http://ls11-www.cs.uni-dortmund.de/staff/schaefer pgp: https://keyserver2.pgp.com/vkd/SubmitSearch.event?&&SearchCriteria=0xD84DED79
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