openmolecules.org

 
Home » DataWarrior » Cheminformatics » Free Wilson Analysis
Free Wilson Analysis [message #1873] Fri, 17 March 2023 17:44 Go to previous message
amorrison
Messages: 38
Registered: March 2016
Member
Hi Thomas,

I was wondering if you think it would possible to do a Free-Wilson analysis within Datawarrior? Not necessarily a feature you might want to incorporate but if you think it would be achievable and could give me some hints I'd much appreciate it.

I appreciate there are ML models already available in DW, but as a medicinal chemist it's much easier for me to relate to the Free-Wilson models and I've used them successfully in the past. I do have other tools that I can use for this but being able to do it in DW would be marvellous.

Thanks,

Angus
 
Read Message
Read Message
Read Message
Previous Topic: Displaying change in r value from a selected sample of a dataset
Next Topic: peediction missing values- descriptors
Goto Forum:
  


Current Time: Fri Dec 13 08:56:40 CET 2024

Total time taken to generate the page: 0.02759 seconds