openmolecules.org

 
Home » Web-based Tools » Property Explorer » publication for druglikeness score?
publication for druglikeness score? [message #313] Mon, 19 February 2018 16:04 Go to next message
chemtv is currently offline  chemtv
Messages: 29
Registered: February 2015
Location: Indianapolis
Junior Member
Hi,
I am looking at the description for the drug score and druglikeness scores in Datawarrior and wondered if there is a publication with more detail and analysis?
Thanks,
Greg

Report message to a moderator

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: 747
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

Report message to a moderator

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

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

Current Time: Sun Jun 21 22:18:20 CEST 2026

Total time taken to generate the page: 0.00502 seconds
openmolecules.org