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Re: PCA [message #362 is a reply to message #360]

Sun, 08 July 2018 18:33

thomas
Messages: 731
Registered: June 2014

Senior Member

I am not sure, whether I understand your question correctly. If you intend to make a PCA from multidimensional data and then plot the 2 or 3 most significant dimensions, then you need to do these steps:

- Data-> Calculate Principal Components...
- select the columns that contain your input data (or a descriptor column of chemical structures)
- click OK

Does this answer your question?

Thomas

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[Message index]

		PCA By: khom on Tue, 19 June 2018 22:09
		Re: PCA By: thomas on Sun, 08 July 2018 18:33
		Re: PCA By: khom on Tue, 10 July 2018 20:43
		Re: PCA By: thomas on Wed, 11 July 2018 12:57
		Re: PCA By: thomas on Wed, 11 July 2018 15:30
		Re: PCA By: khom on Wed, 11 July 2018 19:49

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