openmolecules.org Forum: Functionality

Home » DataWarrior » Functionality » Globularity (how do exisitng DW shape/ linearity calculations compare to globularity score?)

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

Globularity [message #1262]

Wed, 24 March 2021 02:53

P_Fitz
Messages: 17
Registered: November 2019

Junior Member

I'm dabbling a bit in chemoinformatics and was wondering how a globularity score (specifically as referred to by eNTRy rules https://www.nature.com/articles/nature22308.pdf Wink

compares to the Shape Index that is calculated in data warrior.

Thanks so much for developing and supporting such a great tool for free. I've found it very useful in my research.

Patrick Fitzgerald

[Updated on: Wed, 24 March 2021 02:55]

Report message to a moderator

[Message index]

		Globularity By: P_Fitz on Wed, 24 March 2021 02:53
		Re: Globularity By: thomas on Wed, 24 March 2021 17:13
		Re: Globularity By: thomas on Fri, 26 March 2021 17:13
		Re: Globularity By: P_Fitz on Sat, 27 March 2021 00:31
		Re: Globularity By: thomas on Tue, 30 March 2021 17:10

Previous Topic:	reaction enumeration reagent connection
Next Topic:	missing entry tautobase

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Oct 08 23:46:44 CEST 2025

Total time taken to generate the page: 1.40959 seconds