openmolecules.org Forum: Functionality

Home » DataWarrior » Functionality » Lilly Medchem Rules (Lilly Medchem Rules)

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

Re: Lilly Medchem Rules [message #877 is a reply to message #869]

Tue, 28 April 2020 00:25

mvamos
Messages: 24
Registered: January 2015
Location: US

Junior Member

I do wonder what the druglikeness (pi) in the "drug score" actually measures, or how it's measured. My feeling is this Lilly calc might be less about solubility/polarity like the "drug score" and more related to functional groups.

The authors of the 2012 paper do have a paper from 2018 (https://doi.org/10.1021/acsmedchemlett.8b00097 Wink

on a related topic, but it seems to be a distinct set of PAINS rules. So perhaps the 2012 paper is the best guide.

Report message to a moderator

[Message index]

		Lilly Medchem Rules By: mvamos on Thu, 16 April 2020 20:50
		Re: Lilly Medchem Rules By: nbehrnd on Thu, 23 April 2020 19:29
		Re: Lilly Medchem Rules By: mvamos on Tue, 28 April 2020 00:25
		Re: Lilly Medchem Rules By: IanWatson on Sun, 03 May 2020 21:21
		Re: Lilly Medchem Rules By: thomas on Fri, 08 May 2020 18:02
		Re: Lilly Medchem Rules By: evehom on Tue, 15 September 2020 16:29

Previous Topic:	Managing Columns
Next Topic:	Axial chirality

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Nov 22 04:05:06 CET 2024

Total time taken to generate the page: 0.03613 seconds