From chemistry-request "-at-" ccl.net Thu Dec 2 04:21:28 2004 Received: from shiva.jussieu.fr (shiva.jussieu.fr [134.157.0.129]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id iB29LRbq031007 for ; Thu, 2 Dec 2004 04:21:28 -0500 Received: from ds10.itodys.jussieu.fr (ds10.itodys.jussieu.fr [134.157.24.13]) by shiva.jussieu.fr (8.12.11/jtpda-5.4) with ESMTP id iB29a6ac009489 for ; Thu, 2 Dec 2004 10:36:19 +0100 (CET) X-Ids: 165 Received: by ds10.itodys.jussieu.fr (8.12.1/1.1.2.11/09Jul02-1200PM) id iB28tOXC245247; Thu, 2 Dec 2004 09:55:24 +0100 (MET) Date: Thu, 2 Dec 2004 09:55:24 +0100 (MET) From: Michel Petitjean Message-Id: <200412020855.iB28tOXC245247$at$ds10.itodys.jussieu.fr> To: chemistry$at$ccl.net Subject: CCL: Re: Software for pattern recognition in QSAR studies? X-Greylist: Sender IP whitelisted, not delayed by milter-greylist-1.5.11 (shiva.jussieu.fr [134.157.0.165]); Thu, 02 Dec 2004 10:36:19 +0100 (CET) X-Miltered: at shiva.jussieu.fr with ID 41AEE206.001 by Joe's j-chkmail (http://j-chkmail.ensmp.fr)! X-Antivirus: scanned by sophie at shiva.jussieu.fr X-Spam-Status: No, hits=0.3 required=7.5 tests=FVGT_s_OBFU_Q1 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net To: Subj: CCL: Re: Software for pattern recognition in QSAR studies? Renxiao Wang wrote: > I am looking for a program that can apply standard pattern recognition > techniques. Basically, I want to study a number of samples, each of > which can be characterized by some properties. I would like to classify > these samples into several groups based on these properties, and then > derive a QSAR model for each group. > ... When all propoerties are non-numerical (e.g. property 1 takes values A or B or C, property 2 takes value red or green or blue, property 3 takes values: alpha or beta or gamma or delta, etc...), there is a classification method able to compute the optimal partition, including the number of classes: very few methods can do this. Freeware with reference and documentation: http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html#POP Michel Petitjean, Email: petitjean$at$itodys.jussieu.fr ITODYS (CNRS, UMR 7086) ptitjean$at$ccr.jussieu.fr 1 rue Guy de la Brosse Phone: +33 (0)1 44 27 48 57 75005 Paris, France. FAX : +33 (0)1 44 27 68 14 http://petitjeanmichel.free.fr/itoweb.petitjean.html