Re: [Cdk-devel] LogP comparison

[Egon W. <ego...@gm...>]

On Wed, Feb 23, 2011 at 7:15 AM, Nina Jeliazkova
<jel...@gm...> wrote:
> I vaguely remember there were comparisons between some descriptors,
> implemented in CDK and elsewhere - could anyone remind?

Rajarshi blogged about it very recently:

http://blog.rguha.net/?p=896

We have many QSAR modelers amongst us... if only we had Open Data with
experimental LogP (or LogD as Antony suggested at some point), the
making better models was done in a week or two.

Egon

-- 
Dr E.L. Willighagen
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Institutet för miljömedicin
Karolinska Institutet
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