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Mon, 09 April 2018 21:59

thomas
Messages: 729
Registered: June 2014

Senior Member

RBS is still part of DataWarrior, but it is called Similarity Analysis there:
http://www.openmolecules.org/help/chemistry.html#SimAnalysis

The activity cliff analysis is the same thing, but also visualizes activity differences divided by dissimilarities (SALI values):
http://www.openmolecules.org/help/chemistry.html#SaliAnalysi s

Thomas

		2D Rubber Band Scaling (RBS) By: dataviz on Sat, 07 April 2018 10:25
		Re: 2D Rubber Band Scaling (RBS) By: thomas on Mon, 09 April 2018 21:59

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