openmolecules.org Forum: Functionality

Home » DataWarrior » Functionality » Decompose R-Groups (Specify the R-group numbers on a scaffold)

Show: Today's Messages :: Polls :: Message Navigator

Re: Decompose R-Groups [message #2349 is a reply to message #2346]

Tue, 12 November 2024 19:07

thomas
Messages: 736
Registered: June 2014

Senior Member

I presume it would need a non-trivial UI to do that, while I am not sure, whether I understand correctly. Do you refer to 'multiple scaffolds' matching the same query? Or actually an undesired scaffold match on a real compound if there are multiple matches because of symmetry?

How would like to indicate critical cases before running the deconvolution or 'correct' assignments for individual rows after it? From an UI perspective both seems rather difficult to do...

Report message to a moderator

[Message index]

		Decompose R-Groups By: amorrison on Wed, 06 November 2024 13:02
		Re: Decompose R-Groups By: thomas on Tue, 12 November 2024 19:07
		Re: Decompose R-Groups By: amorrison on Sun, 17 November 2024 08:34

Previous Topic:	Can I see all the molecules from a given patent at once?
Next Topic:	extend the Chembl search to RNA

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Nov 03 16:09:21 CET 2025

Total time taken to generate the page: 0.38902 seconds