Subject: Software for pattern recognition in QSAR studies?

From: "Renxiao Wang" <renxiao=at=med.umich.edu>
Date: Mon, 29 Nov 2004 14:58:45 -0500

Dear all,

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.

So, I would like to try some popular software in this area for the
clustering purpose. If you have any clue, please kindly let me know, and
I will put back the summary shortly.

Best regards,

Renxiao

--------------------------------------------------------------------------------------------------
Renxiao Wang, Ph.D.
Research Investigator
Department of Internal Medicine, Hematology/Oncology Division
University of Michigan Medical School
Ann Arbor, MI 48109, U.S.A.
Tel: (734) 764-2449; Fax: (734) 764-2532
E-mail: renxiao=at=med.umich.edu
Web: http://sw8.im.med.umich.edu/~arthur/
--------------------------------------------------------------------------------------------------

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From: "Mark Thompson" <mark^at^arguslab.com>
Date: Tue, 30 Nov 2004 08:29:48 -0800

Hi Renxiao,

If your data is in a database format (Excel spreadsheet works too), you
might want to try the Visual Spreadsheet for Databases from Tableau Software
(http://www.tableausoftware.com/)

It's basically a visualizer for structured databases.  Its a pretty cool
program.  I don't think it will allow you to build QSAR models since its a
general tool, not a chemistry specific tool, but its great for looking for
hard-to-see trends in complicated datasets and databases.

Cheers,
Mark Thompson
Seattle, WA.

-----Original Message-----
From: Computational Chemistry List [mailto:chemistry-request^at^ccl.net]On
Behalf Of Renxiao Wang
Sent: Monday, November 29, 2004 11:59 AM
To: chemistry^at^ccl.net
Subject: CCL:Software for pattern recognition in QSAR studies?

Dear all,

Best regards,

Renxiao

----------------------------------------------------------------------------
----------------------
Renxiao Wang, Ph.D.
Research Investigator
Department of Internal Medicine, Hematology/Oncology Division
University of Michigan Medical School
Ann Arbor, MI 48109, U.S.A.
Tel: (734) 764-2449; Fax: (734) 764-2532
E-mail: renxiao^at^med.umich.edu
Web: http://sw8.im.med.umich.edu/~arthur/
----------------------------------------------------------------------------
----------------------

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