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Re: comparing diversity [message #2390 is a reply to message #2384]

Thu, 20 February 2025 11:19

thomas
Messages: 730
Registered: June 2014

Senior Member

I don't see anything obvious. One way might be to calculate the mean or median of all mutual compound similarities. This would require just a few lines of Java-code with OpenChemLib, but DataWarrior doesn't do that.

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[Message index]

		comparing diversity By: sansun on Fri, 31 January 2025 11:05
		Re: comparing diversity By: thomas on Thu, 20 February 2025 11:19

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