Hi RDKitters,
This is not a question, more like an FYI.
Inspired by Noel's related post:
http://baoilleach.blogspot.co.uk/2014/01/convert-distance-matrix-to-2d.html,
I've put together an iPython Notebook example that performs MDS on a bunch
of ChEMBL compounds (i.e. visualises their chemical space in 2D).
http://nbviewer.ipython.org/gist/madgpap/8538507
Enjoy,
George
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EMBL-EBI
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