From chemistry-request #at# ccl.net Fri Nov 28 06:12:51 2003
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Message-ID: <1070017936.3fc72d9096bdf:at:webmail.uni-wuerzburg.de>
Date: Fri, 28 Nov 2003 12:12:16 +0100
From: Nikolaus Stiefl <nikolaus.stiefl:at:mail.uni-wuerzburg.de>
To: Christoph Nimptsch <christoph.nimptsch:at:uni-tuebingen.de>
Cc: chemistry:at:ccl.net
Subject: Re: CCL:Free software on ComFA
References: <200311271400.19548.christoph.nimptsch:at:uni-tuebingen.de>
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Hi,

I think Christoph is right in so far, that you are not allowed to combine GRID 
maps and PLS techniques in the same package. However, if you seperate the two 
(i.e. GRID and GOLPE) you shouldn't have any problems.

Nevertheless you might want to check that with the people from moldiscovery.

Nik

Zitat von Christoph Nimptsch <christoph.nimptsch:at:uni-tuebingen.de>:

> Hello,
> 
> as far as I know, Tripos has a patent for using GRID-maps 
> (www.moldiscovery.com) with general PLS regression techniques.  
> 
> Am I right?
> 
> So be careful not to violate this patent with free software.
> 
> Christoph
> 
> ------------------------------------------
> Christoph Nimptsch
> Apotheker
> Pharmazeutisches Institut
> Arbeitskreis Prof. Kovar
> Universitdt T|bingen
> Auf der Morgenstelle 8
> D-72076 Tuebingen
> Tel.: 07071 / 29 73047
> Fax.: 07071 / 29 2470
> mailto:christoph.nimptsch:at:uni-tuebingen.de
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_____________________________
Nikolaus Stiefl
Ph.D. student
Chemometrics and Drug Design
University Wuerzburg
Dept. of Pharmacy
Am Hubland
D-97074 Wuerzburg
Germany
Phone: +49 - 931 8885473