openmolecules.org

 
Home » DataWarrior » Functionality » Globularity (how do exisitng DW shape/ linearity calculations compare to globularity score?)
Globularity [message #1262] Wed, 24 March 2021 02:53 Go to previous message
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.pdfWink 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

 
Read Message
Read Message
Read Message
Read Message
Read Message
Previous Topic: reaction enumeration reagent connection
Next Topic: missing entry tautobase
Goto Forum:
  


Current Time: Fri Nov 22 15:43:37 CET 2024

Total time taken to generate the page: 0.03976 seconds