Re: QSAR - QSAR: Published correlations of animal versus human PK data for numerous compounds ?

Dear James

If you read our paper in European J. Med. Chem. 38 (2003) 233-243 you will
see that we have compared rat and human intestinal absorption data (%
absorbed). For 98 common drugs we find:

%Absorption(human) = 0.91 * %Absorption (rat) + 6.89
N = 98, R2 = 0.88, Sd = 11%, F = 675

Or if the fit is forced through the origin:

%Absorption(human) = 0.997 * %Absorption (rat)
N = 98, Sd = 11%, F = 640

We have a follow up paper that shows exactly how rat data can be used to
predict human data.

Best wishes

Michael H Abraham
 

  At 21:41 14/10/03 -0500, you wrote:
>
>QSAR Society,
>
> Numerous publications exist which attempt to develop QSAR models to
>predict ADMET in humans
> A significant component of the pharmaceutical industry presupposes that
>preclinical pharmacokinetics (PK) in animals is at least *somewhat*
>predictive of PK in humans.
>
> Is anyone aware of any publications which clearly show the correlation
>(or lack thereof !) between experimental
> For example, is anyone aware of any publications
> po %F humans for say 20 - 30 (hopefully more) compounds?
>
> I am looking for a more definitive,
>"" I have yet to find any !
>
> Thank you,
> Jim Metz
>
>
> James T. Metz, Ph.D.
> Research Investigator Chemist
>
> GPRD R46Y AP10-2
> Abbott Laboratories
> 100 Abbott Park Road
> 60064-6100
> U.S.A.
>
> Office (847) 936 - 0441
> (847) 935 - 0548
>
> james.metz[-]abbott.com
>
Prof M H Abraham
Department of Chemistry
University College London
20 Gordon Street
London
WC1H 0AJ
Received on 2003-10-16 - 11:39 GMT