openmolecules.org Forum: Functionality » Molecules representative within a cluster

Home » DataWarrior » Functionality » Molecules representative within a cluster

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

Re: Molecules representative within a cluster [message #1188 is a reply to message #1185]

Wed, 13 January 2021 20:58

thomas
Messages: 715
Registered: June 2014

Senior Member

For any molecule in any cluster all similarity values to all other molecules within the same cluster are added. Within a cluster all molecules have the same number of other cluster members. Therefore, that molecule with the highest similarity sum within one cluster is the one that on average is most similar to all other cluster members and therefore is the one that is most central in a cluster. Does this explain it?

Report message to a moderator

[Message index]

		Molecules representative within a cluster By: jfsanchezs on Sat, 09 January 2021 17:34
		Re: Molecules representative within a cluster By: thomas on Wed, 13 January 2021 20:58

Previous Topic:	Can you disable SMILES conversion?
Next Topic:	Column Resorting Tool

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Nov 22 22:12:37 CET 2024

Total time taken to generate the page: 0.04015 seconds