From chemistry-request.,at,.ccl.net Thu Nov 27 12:52:38 2003 Received: from mailgate.tripos.com (mailgate.tripos.com [192.160.145.7]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hARHq6NL002001 for ; Thu, 27 Nov 2003 12:52:06 -0500 Message-ID: From: "Paul Hawkins" To: "Christoph Nimptsch" , Date: Thu, 27 Nov 2003 12:50:33 -0500 Subject: RE: Free software on CoMFA MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 7bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-MimeOLE: Produced By Microsoft MimeOLE V5.50.4925.2800 In-Reply-To: <200311271400.19548.christoph.nimptsch{at}uni-tuebingen.de> Importance: Normal X-Spam-Status: No, hits=-0.4 required=7.0 tests=IN_REP_TO,MSGID_GOOD_EXCHANGE,PRIORITY_NO_NAME version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Hello all, As I noted in a response to the original question Tripos does indeed hold patents on the use of PLS and similar techniques to derive QSAR's based on grid-based fields around molecule sets. These patents are in force until 2007 and would prevent use of separate pieces of freeware that generate GRID-type maps and subsequently perform PLS on this data versus activity. So, to echo Christoph's caution do not use separate pieces of software to do this sort of task. If you wish to use the CoMFA approach then please contact your local Tripos sales representative. Paul Hawkins Applications Scientist Tripos Inc 1699 South Hanley Road St. Louis MO 63144 Ph: 617-899-4151 E-mail: phawkins{at}tripos.com www.tripos.com -----Original Message----- From: Computational Chemistry List [mailto:chemistry-request{at}ccl.net]On Behalf Of Christoph Nimptsch Sent: Thursday, November 27, 2003 8:00 AM To: chemistry{at}ccl.net Subject: CCL:Free software on ComFA 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 ------------------------------------------ -= This is automatically added to each message by the mailing script =- To send e-mail to subscribers of CCL put the string CCL: on your Subject: line and send your message to: CHEMISTRY{at}ccl.net Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST{at}ccl.net HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs If your mail is bouncing from CCL.NET domain send it to the maintainer: Jan Labanowski, jkl{at}ccl.net (read about it on CCL Home Page) -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+