From chemistry-request@ccl.net Fri Aug 15 02:17:07 2003 Received: from sesosn01.astrazeneca.com (sesosn01.astrazeneca.com [212.209.42.131]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id h7F6H698022206 for ; Fri, 15 Aug 2003 02:17:07 -0400 Received: from sesosn11.seso.astrazeneca.net (sesosn11.seso.astrazeneca.net [192.168.199.18]) by sesosn01.astrazeneca.com (8.12.9/8.12.9) with ESMTP id h7F6H52O011785; Fri, 15 Aug 2003 08:17:10 +0200 (MET DST) Received: from sesosn21.seso.astrazeneca.net (sesosn21.seso.astrazeneca.net [192.71.145.181]) by sesosn11.seso.astrazeneca.net (8.12.9/8.12.9/AZ-def_main_in.12.9.0) with ESMTP id h7F6GGmX000899; Fri, 15 Aug 2003 08:16:16 +0200 (MET DST) Received: from astra-cdc-x03.seso.astrazeneca.net (astra-cdc-x03.seso.astrazeneca.net [192.71.145.48]) by sesosn21.seso.astrazeneca.net (8.12.9/8.12.9) with ESMTP id h7F6GFU7024950; Fri, 15 Aug 2003 08:16:15 +0200 (MET DST) Received: by astra-cdc-x03.seso.astrazeneca.net with Internet Mail Service (5.5.2650.21) id ; Fri, 15 Aug 2003 08:16:15 +0200 Message-ID: <710925AD6A27D6118B050002A5F0889301D78FB7!at!semldsntmsx205.seml.astrazeneca.net> From: Sorel.Muresan!at!astrazeneca.com To: dopetec!at!dslextreme.com Cc: chemistry!at!ccl.net Subject: RE: Are there alternatives to GOLPE for 3D-QSAR studies Date: Fri, 15 Aug 2003 08:16:12 +0200 MIME-Version: 1.0 X-Mailer: Internet Mail Service (5.5.2650.21) Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by server.ccl.net id h7F6H798022207 Hi Don, Try these for multivariate data analysis: SIMCA http://www.umetrics.com/software_simcap.asp The Unscrambler http://www.camo.com/p2_tuf2.htm Cheers, Sorel. ____________________________________________ Sorel Muresan, PhD AstraZeneca R&D Mvlndal EST Chemical Computing Pepparedsleden 1, 431 83 Mvlndal, Sweden Tel: +46-31-7065283 Fax: +46-31-7763792 sorel.muresan!at!astrazeneca.com -----Original Message----- From: Donald Keidel [mailto:dopetec!at!dslextreme.com] Sent: fredag, augusti 15, 2003 01:48 To: chemistry!at!ccl.net Subject: CCL:Are there alternatives to GOLPE for 3D-QSAR studies Hello CCL, I am looking into starting some 3D-QSAR studies and I have read many papers that use GOLPE for their Linear PLS Estimations. I am wondering if anyone knows of other software, free or not, that can do what GOLPE does? I will summarize results if anyone is interested. Thank you in advance for all replies. Don ------------------------------------------------------------------------ --------------------------------------- Donald J. Keidel University of California, Riverside Department of Biochemistry and Molecular Biology Riverside, CA 92521 phone: (909) 787-5493 fax: (909) 787-4434 dopetec!at!dslextreme.com webpage: www.biochemistry.ucr.edu/gru/gradstudents/don_keidel/index.htm -= This is automatically added to each message by 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) -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+