Subject: Re: CCL:aqueous solubilities of organic compounds

From: George Vacek <[email-masked]>
Date: Fri, 15 Feb 2002 18:32:10 -0800

QikProp predicts a variety of pharmaceutical properties, including solubility,
that are
important in determining ADME characteristics for drug candidates.  The complete
set
of  properties predicted by QikProp, methods, data and literature references are
available at
http://www.schrodinger.com
For the specific case of solubility, the data set and descriptors are detailed in
the article
W. L. Jorgensen and E. M. Duffy, Bioorg. Med. Chem. Lett., 10 (2000) 1155-8.

> At 02:25 PM 2/15/2002 +0100, [email-masked]
> wrote:
> >         currently I'm looking for methods and datasets for the prediction of
> >aqueous solubilities of organic (preferrably drug like) compounds.

> >Thus I would like to ask for your advice: are you
> >aware of methods to predict solubility ?  Did you ever come across
> >databases with experimentally determined solubilities, which might be
> >accessible ?

Regards,
George Vacek
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