Validation of logD predictor?

User bc9a7e94b9

24-04-2012 17:27:55


Beyond the descriptions provided under:


is there any other publically available documentation regarding the logD calculator used by cxcalc?

Specifically, have the logD (7.4) predictions been validated on experimental data? (The references above only seem to present experimental validation of the logP calculator on the PhysProp database.)

I am particularly interested in the reliability of logD (7.4) predictions for ionisable molecules.

I am currently using version, if that makes any difference. (I appreciate this is an old version; I would ideally like to use this - both for convenience, as well as consistency for calculations I have currently carried out with this version.)

Thank you for any information you can provide.

Best regards,





ChemAxon afdac7b783

25-04-2012 15:09:26

Dear Richard,

I'm sending the link by e-mail, where you can find a presentation about validation of our logD calculation against experimental data.

Best regards,

User 235d4c91c8

14-05-2013 20:15:15

Where is the link for that presentation on the validation of the LogD calculations? What about the pka calculations?

ChemAxon afdac7b783

22-05-2013 08:47:17

The presentation is about the relative ability of software
programs (including ChemAxon's calculator) to predict the measured
values and presented by Yvonne Martin in 2010 on the US User Group
Meeting. />

Best regards,