Hi Leon, You can convert the tanimoto distance to similarity, but the formula is: Similarity = 1 - Distance
Best, -greg On Tue, Jun 29, 2021 at 3:21 AM topgunhaides <sunzhi....@gmail.com> wrote: > Hi guys, > > A quick question: > > RDKit computes the "Shape Tanimoto distance" by calling the > "ShapeTanimotoDist". > I assume that similarities and distances can be interconverted using the > following equation? > > Shape Tanimoto similarity = 1 / (1 + Shape Tanimoto distance) > > Correct? Thank you! > > Best, > Leon > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
