openmolecules.org Forum: Functionality » Confirming Sali values generated in Datawarrior / Machine learning and multiple descriptors in DW

Home » DataWarrior » Functionality » Confirming Sali values generated in Datawarrior / Machine learning and multiple descriptors in DW (Sali Plots)

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

Confirming Sali values generated in Datawarrior / Machine learning and multiple descriptors in DW [message #1408]

Thu, 23 September 2021 01:06

Jo W
Messages: 34
Registered: July 2021

Member

The question relates to Sali plots - DW generated Sali values compared to those using the Sali equation in the scientific literature. I assume I must be doing something wrong but cannot figure out what to do (see attached).

The other is a question on using multiple descriptors for machine learning predictions in DW (see attached).
Many thanks in advance

Attachment: Question on Sali plot calculations in Datawarrior.docx
(Size: 932.31KB, Downloaded 221 times)

Report message to a moderator

[Message index]

		Confirming Sali values generated in Datawarrior / Machine learning and multiple descriptors in DW By: Jo W on Thu, 23 September 2021 01:06
		Re: Confirming Sali values generated in Datawarrior / Machine learning and multiple descriptors in DW By: thomas on Thu, 23 September 2021 13:41

Previous Topic:	similarity_search_protocol
Next Topic:	2D Scatter Plot Axes

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sun Apr 28 20:35:51 CEST 2024

Total time taken to generate the page: 0.03758 seconds