Comprehensive Chemometrics - 1st Edition - ISBN: 9780444527028, 9780444527011

Comprehensive Chemometrics

1st Edition

Chemical and Biochemical Data Analysis

Editors: Steven Brown
Editor-in-Chiefs: Romà Tauler Beata Walczak Steven Brown
Hardcover ISBN: 9780444527028
eBook ISBN: 9780444527011
Imprint: Elsevier
Published Date: 9th March 2009
Page Count: 2896
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Designed to serve as the first point of reference on the subject, Comprehensive Chemometrics presents an integrated summary of the present state of chemical and biochemical data analysis and manipulation. The work covers all major areas ranging from statistics to data acquisition, analysis, and applications.

This major reference work provides broad-ranging, validated summaries of the major topics in chemometrics—with chapter introductions and advanced reviews for each area. The level of material is appropriate for graduate students as well as active researchers seeking a ready reference on obtaining and analyzing scientific data.

Key Features

  • Features the contributions of leading experts from 21 countries, under the guidance of the Editors-in-Chief and a team of specialist Section Editors: L. Buydens; D. Coomans; P. Van Espen; A. De Juan; J.H. Kalivas; B.K. Lavine; R. Leardi; R. Phan-Tan-Luu; L.A. Sarabia; and J. Trygg
  • Examines the merits and limitations of each technique through practical examples and extensive visuals: 368 tables and more than 1,300 illustrations (750 in full color)
  • Integrates coverage of chemical and biological methods, allowing readers to consider and test a range of techniques
  • Consists of 2,200 pages and more than 90 review articles, making it the most comprehensive work of its kind
  • Offers print and online purchase options, the latter of which delivers flexibility, accessibility, and usability through the search tools and other productivity-enhancing features of ScienceDirect


Graduate scientists and practitioners working on the analysis and manipulation of chemical and biological data

Table of Contents

Experimental Design
Data preprocessing
Linear soft-modeling
Unsupervised Data Mining
Linear Regression Modeling
Non-linear Regression
Feature Selection
Multivariate Robust Techniques


No. of pages:
© Elsevier 2009
Hardcover ISBN:
eBook ISBN:

About the Editor

Steven Brown

Affiliations and Expertise

Department of Chemistry and Biochemistry, University of Delaware, USA

About the Editor-in-Chief

Romà Tauler

Romà Tauler graduated in Chemistry from the University of Barcelona (1977) and in 1984 obtained his Ph.D. degree in Analytical Chemistry at the University of Barcelona. He was Associate Professor at the University of Barcelona (Analytical Chemistry Dept) from 1987 to 2003. Since July 2003, he is Research Professor at the Institute of Environmental Assessment and Water Research (IDÆA) of the Spanish National Research Council (CSIC). During these years, he carried out postdoc stays at Institut für Anorg. u. Anal. Chemie - Univ. of Innsbruck (Innsbruck, Austria, 1985 and 1989) and a sabbatical leave as a research scientist at the Center for Process Analytical Chemistry (CPAC) - University of Washington (Seattle, US, 1992). Until now, he has published more than 360 papers in ISI journals (WoS gives 11.656 citations and h-index 51 at Sept 7th, 2017). Nowadays, he is the Chief Editor of the Chemometrics and Intelligent Laboratory Systems (Elsevier) journal and Chief Editor of the Major Reference Work: Comprehensive Chemometrics, Chemical and Biochemical Data Analysis (Elsevier). He has been awarded an ERC Advanced Grant (2012) for the project “CHEMometric and High-Throughput Omics Analytical Methods for Assessment of Global Change Effects on Environmental and Biological Systems”. Other academic awards are the Award for Achievements in Chemometrics (Eastern Analytical Symposium, 2009) and the Kowalski Prize (Journal of Chemometrics, 2009). Main research interests are in Chemometrics, especially in the development of multivariate curve resolution methods for the analysis of multiway and multiset data, and for their applications to Omics Sciences, Environmental Chemistry, Analytical and Bioanalytical Chemistry (hyphenated chromatography, spectroscopy, imaging, mass spectrometry, sensor development), and Solution Chemistry (Equilibria and Kinetics).

Affiliations and Expertise

Institute of Chemical and Environmental Research, CSIC, Spain

Beata Walczak

Affiliations and Expertise

Department of Chemometrics, Institute of Chemistry, University of Silesia, Poland

Steven Brown

Affiliations and Expertise

Department of Chemistry and Biochemistry, University of Delaware, USA


"An excellent source of up-to-date information…essential for researchers and others working in the field." --Analytical and Bioanalytical Chemistry

"Contains much to interest the spectroscopist…well worthy of a place in any analytical science library." --Spectroscopy Europe

"Highly recommended…Should find a merited place on bookshelves alongside its predecessors." --Alexey L. Pomerantsev and Oxana Ye. Rodionova, Semenov Institute of Chemical Physics RAS, Russia

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