Re: Cluster t-SNE plot [message #506 is a reply to message #500] |
Wed, 20 March 2019 23:29 ![Go to previous message Go to previous message](/forum/theme/myThemeWithHFCSS/images/up.png) |
thomas
Messages: 694 Registered: June 2014
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Senior Member |
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Hi Angus,
this is currently not possible. I would suggest to always cluster compounds on a chemical descriptor, because that would reflect compound similarity much better than the reduced 2 or three dimensions after t-SNE. Of course, clusters based on the t-SNE positions would look perfectly nice in the t-SNE view, but would be far from perfect groups of similar compounds.
Thomas
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