Oh, sorry.... the CDK 1.4 identical to 1.5... No, they are typically not, as they depend on an aromaticity model. This is why I introduced the SP2-based fingerprinter, which also takes into account hybridization, but does not depend on definitions of aromaticity... and should be more stable.
(But like the other one, still depends on proper hybridization info to be present... from input data or from atom type perception) 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 -- E.L. Willighagen Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ORCID: 0000-0001-7542-0286 ImpactStory: https://impactstory.org/EgonWillighagen ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
