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 <[email protected]> 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 > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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