Only *Fingerprinter* or *ExtendedFingerprint* obey this transitivity property.
Relevant post I wrong in 2015: https://nextmovesoftware.com/blog/2015/02/16/for-every-fingerprint-optimisation-there-is-an-equal-and-opposite-fingerprint-deterioration/ On Thu, 20 Feb 2020 at 10:44, nicepeopleproject <nicepeopleproj...@gmail.com> wrote: > Hello! > I'm trying to realize substructure search. As I understand, the > ShortestPathFingerprinter is suitable for this. I ran into the following > problem. I attach two file(in molecules.zip). when using butane.mol as > query, should find ciclopentane.mol. When i found BitSet for butane i got: > {115, 503, 540, 653, 893} > {115, 503, 542, 653, 893} - for ciclopentane. > So i cannot find ciclopentane. Is there a way to make it work? > > -- > С уважением, > Николаев Артём > _______________________________________________ > Cdk-user mailing list > Cdk-user@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/cdk-user >
_______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
