openmolecules.org Forum: Cheminformatics

Search
Help
Members
Register
Login
Home

Home » DataWarrior » Cheminformatics » comparing diversity (comparing two different compound libraries)

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

Re: comparing diversity [message #2390 is a reply to message #2384]

Thu, 20 February 2025 11:19

thomas
Messages: 731
Registered: June 2014

Senior Member

I don't see anything obvious. One way might be to calculate the mean or median of all mutual compound similarities. This would require just a few lines of Java-code with OpenChemLib, but DataWarrior doesn't do that.

Report message to a moderator

[Message index]

		comparing diversity By: sansun on Fri, 31 January 2025 11:05
		Re: comparing diversity By: thomas on Thu, 20 February 2025 11:19

Previous Topic:	Similarity Analysis query
Next Topic:	Out of memory

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Jun 27 21:09:05 CEST 2025

Total time taken to generate the page: 0.10768 seconds