Re: The Blue Obelisk is challenged: predicting solubility

On Thu, Jul 31, 2008 at 4:37 PM, Rajarshi Guha <rguha@...> wrote:
>> http://www-jmg.ch.cam.ac.uk/data/solubility/
>>
>> BTW, the file has 3D coordinates, and look at the first entry, the
>> planar napthol:
>
> Hmm, where did they come from? They can't be CCDC structures (?). If not,
> how were they generated, was solvent used etc?

Valid questions; can't quickly find it in the paper...

Egon

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