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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 online  thomas
Messages: 360
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: 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.

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