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Re: Cluster t-SNE plot [message #506 is a reply to message #500]

Wed, 20 March 2019 23:29

thomas
Messages: 663
Registered: June 2014

Senior Member

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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		Cluster t-SNE plot By: amorrison on Sat, 16 March 2019 07:28
		Re: Cluster t-SNE plot By: thomas on Wed, 20 March 2019 23:29

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