openmolecules.org Forum: Cheminformatics

Search
Help
Members
Register
Login
Home

Home » DataWarrior » Cheminformatics » Compound properties

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

Compound properties [message #198]

Thu, 15 September 2016 20:41

xhubei08
Messages: 1
Registered: September 2016
Location: Ohio

Junior Member

Compound properties such as "Aromatic Atoms count" and "sp3-Atoms count" are calculated via the "Add Compound Properties" entry in DataWarrior. Is there a document in which all the compound properties are defined? For example, I would like to know if hydrogen atoms are included in "Aromatic Atoms Count".

Thanks,
Xiche Hu

Report message to a moderator

[Message index]

		Compound properties By: xhubei08 on Thu, 15 September 2016 20:41
		Re: Compound properties By: thomas on Fri, 23 September 2016 23:04

Previous Topic:	File format
Next Topic:	Fuzzy Score

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sun Dec 07 09:15:45 CET 2025

Total time taken to generate the page: 0.90025 seconds