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Re: cLogD [message #956 is a reply to message #955]

Tue, 16 June 2020 22:15

thomas
Messages: 731
Registered: June 2014

Senior Member

cLogD requires a pKa prediction, which DataWarrior cannot do itself yet. However, DataWarrior may use the commercial ChemAxon pKa-plugin to do the prediction. If the DataWarrior installation folder contains a capka.jar file, which contains the needed ChemAxon software, then cLogD and pKa prediction are enabled.

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[Message index]

		cLogD By: thurow.sam@gmail.com on Tue, 16 June 2020 15:46
		Re: cLogD By: thomas on Tue, 16 June 2020 22:15
		Re: cLogD By: bruce on Tue, 02 February 2021 22:15
		Re: cLogD By: thomas on Tue, 02 February 2021 22:47
		Re: cLogD By: bruce on Wed, 03 February 2021 18:29
		Re: cLogD By: jdion on Tue, 21 September 2021 18:56
		Re: cLogD By: thomas on Mon, 27 June 2022 18:27

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