QSAR - Chemometrics book

----- Forwarded by Yvonne C Martin/LAKE/PPRD/ABBOTT on 01/09/03 04:56 PM
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Richard Brereton <r.g.brereton]^[BRISTOL.AC.UK>
Sent by: International Chemometrics Society <ICS-L[]LISTSERV.UMD.EDU>
01/09/03 03:50 AM
Please respond to r.g.brereton

 
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        Subject: Chemometrics book

Dear All

My book "Chemometrics : Data Analysis for the Laboratory and Chemical
Plant" will shortly be available; the first copies in Chichester are
scheduled within the next 2 weeks for distribution to UK and European
destinations, and elsewhere (e.g. New York and Singapore) by March.

The book consists of 478 pages of text together with a preface,
contents and index. Both hardback and paperback editions are available.

In addition there are around 70 datasets associated with the text,
corresponding to case studies from a wide variety of sources and
careful simulations. There are 54 problems at the end of the chapters,
some quite lengthy, allowing the reader to work through the results of
common chemometrics methods, step by step. The full worked answers to
the problems are available on Spectroscopynow and have been carefully
validated in both Matlab and Excel. The main chemometrics methods in
the body of the text are also illustrated through the use of numerical
examples.

Topics covered include Experimental Design; Signal Processing; Pattern
Recognition; Calibration; Evolutionary Signals. In addition there are
appendices on Matrices and Vectors; Basic Statistics; Common
Algorithms; Excel; Matlab.

Although there is no requirement to use any specific software package
with this book, descriptions of the application of both Matlab and
Excel in chemometrics are provided. An Add-in for use of common
chemometrics methods in Excel, written by Tom Thurston, based on an
original by Les Erskine, is available, as well as a comprehensive set
of Matlab procedures cross-referenced to the methods described in the
book, written by Hailin Shen.

Further details are on
http://www.spectroscopynow.com/Spy/basehtml/SpyH/1,1176,2-14-8-0-0-online_book_dets-0-38453,00.html
There is currently a 25% discount on the price of the full package
until January 19, making the cost of the paperback around 30 pounds
(with equivalents in dollars and euros). Anyone interested in
purchasing a bulk order of several copies may be able to obtain a
bigger discount.

Thank you to those quite large numbers of people that have helped me in
various ways over the past couple of years, in suggesting datasets,
commenting on text and commenting on the software. This support has
been very valuable.

Richard Brereton
School of Chemistry, University of Bristol
Cantock's Close, BRISTOL BS8 1TS, UK
R.G.Brereton * bristol.ac.uk
phone +44-117-9287658 fax +44-117-9251295
http://www.chm.bris.ac.uk/org/chemometrics/
Received on 2003-01-09 - 18:36 GMT