openmolecules.org

 
Home » Web-based Tools » Property Explorer » publication for druglikeness score?
Re: publication for druglikeness score? [message #316 is a reply to message #313] Thu, 01 March 2018 22:28 Go to previous message
thomas is currently offline  thomas
Messages: 715
Registered: June 2014
Senior Member
Hi Greg,

at that time we didn't have the time to publish. Thus, the only public explanation is what you can find
via this URL: http://www.openmolecules.org/propertyexplorer/druglikeness.h tml
The fragments and their contributions to the score are part of the DataWarrior source code and could be
easily transformed into chemical structures, if that is of interest.

Thomas
 
Read Message
Read Message
Next Topic: Can not retrieve structure data from server ?
Goto Forum:
  


Current Time: Fri Nov 22 03:33:21 CET 2024

Total time taken to generate the page: 0.03835 seconds