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girke-lab / chemminetools

ChemMine Tools: open source web framework for small molecule analysis
http://chemmine.ucr.edu
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clustering #218

Closed barhoon closed 3 years ago

barhoon commented 3 years ago

Hello,what the meaning of molecules colors (blue to red) in Multidimensional Scaling clustering result ? and How to separate each cluster ? thank you.

tgirke commented 3 years ago

The coloring is based on the similarity cutoff (Tanimoto coefficient) that you choose when starting the MDS job (default is 0.4). To obtain partitioning results in a table you would choose the binning clustering instead.