openmolecules.org

 
Home » DataWarrior » Cheminformatics » t-SNE (interprettation)
t-SNE [message #1675] Fri, 15 July 2022 09:48 Go to previous message
sansun is currently offline  sansun
Messages: 50
Registered: April 2019
Member
Hi

I have generated t-SNE 3D plot to compare two libraries (green and blue) using SkelSphere descriptor.
The molecules in the two libraries are kind of making separate clusters. Can we say the chemical space of the two libraries do not overlap considerably or they contain different type of structures?

If yes, how can we represent this conclusion quantitatively using t-SNE?

/forum/index.php?t=getfile&id=578&private=0

Thanks
SS
  • Attachment: tSNE.png
    (Size: 300.58KB, Downloaded 753 times)

Report message to a moderator

[Message index]
 
Read Message
Read Message
Read Message
Previous Topic: Exporting a descriptor as a Textfile
Next Topic: Dealing with multiple "0% inhibition" results in HTS tests
Goto Forum:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Thu Jul 17 05:18:08 CEST 2025

Total time taken to generate the page: 0.11201 seconds
openmolecules.org