> On Mar 13, 2021, at 20:29, Marawan Hussien via Rdkit-discuss
> wrote:
> my question is if this is the valid approach of comparison, particularly if
> the class sizes vary widely and the average similarity will be inevitably
> affected by the size of each item in each pair. As a check, it look
Hi,
I am trying to calculate the inter-classes Tanimoto similarity using RDkit
fingerprints for several classes of GPCR ligands and provided the results in
the form of a square matrix or a heatmap.I have attempted using the
Bulktanimoto similarity function for that purpose, it works. I am loopin
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