> On Jun 30, 2021, at 04:20, Francois Berenger <mli...@ligand.eu> wrote: > > On 29/06/2021 12:26, Greg Landrum wrote: >> Hi Leon, >> You can convert the tanimoto distance to similarity, but the formula >> is: >> Similarity = 1 - Distance > > In other words: > > Tanimoto_distance = 1.0 - Tanimoto_score
As a side note, Rogers and Tanimoto (1960) define their distance as distance = - log_2 (similarity) The Jaccard distance is 1 - similarity https://en.wikipedia.org/wiki/Jaccard_index#Other_definitions_of_Tanimoto_distance Yes, this confusing set of terms is an annoying nuisance. Andrew da...@dalkescientific.com _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
