Hi George,
On Tue, Jan 21, 2014 at 3:14 PM, George Papadatos <[email protected]>wrote:
>
> 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
>
This is really cool! It's nice to have such easy access to the MDS
functionality.
Thanks for passing along the pointer and showing us how that works.
-greg
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