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Lipinski's rule [message #975]

Mon, 29 June 2020 04:33

sansun
Messages: 49
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'

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[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

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