openmolecules.org Forum: Cheminformatics

Search
Help
Members
Register
Login
Home

Home » DataWarrior » Cheminformatics » Lipinski's rule (flag non-compliant molecules)

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

Lipinski's rule [message #975]

Mon, 29 June 2020 04:33

sansun
Messages: 50
Registered: April 2019

Member

Is there a way to filter/mark compounds that do not comply to 2 or more parameters of the Lipinski's rule of 5 in datawarrior?

Probably it can be done using 'calcualated values'

Report message to a moderator

[Message index]

		Lipinski's rule By: sansun on Mon, 29 June 2020 04:33
		Re: Lipinski's rule By: nbehrnd on Mon, 29 June 2020 09:19
		Re: Lipinski's rule By: sansun on Tue, 30 June 2020 07:58
		Re: Lipinski's rule By: nbehrnd on Wed, 01 July 2020 10:11

Previous Topic:	TFA salts
Next Topic:	Box plots

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Jul 01 02:18:35 CEST 2026

Total time taken to generate the page: 0.00603 seconds