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Re: Question about R-group occurences estimation [message #775 is a reply to message #773]

Wed, 12 February 2020 19:40

thomas
Messages: 729
Registered: June 2014

Senior Member

This is now built in: "Chemistry->From Chemical Structure->Add Substructure Count..."
This opens a dialog to
-select the structure column
-to draw a fragment with optional query features
-and to define whether counted fragments may overlap on some atoms

It is in the current beta and will be in the next official version that is due in a few days

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[Message index]

		Question about R-group occurences estimation By: jvolvr on Tue, 21 January 2020 16:02
		Re: Question about R-group occurences estimation By: thomas on Tue, 21 January 2020 21:14
		Re: Question about R-group occurences estimation By: nbehrnd on Tue, 11 February 2020 14:53
		Re: Question about R-group occurences estimation By: thomas on Wed, 12 February 2020 19:40

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