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Comprehensive Chemometrics

Chemical and Biochemical Data Analysis

  • 1st Edition - March 9, 2009
  • Newer edition is available
  • Editors: Steven Brown, Romà Tauler, Beata Walczak, Steven Brown
  • Language: English

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 biochemic… Read more

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Description

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

Readership

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

Table of contents

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

Review quotes

"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

Product details

About the editors

SB

Steven Brown

Expertise in chemical data analysis, including signal processing and detection, background removal, and transfer of multivariate calibrations. Data mining and knowledge discovery of chemical relationships involving multivariate data, including development of novel classifiers and hierarchical classification methods. Fusion of chemical sensor data for classification and calibration. Former EIC of Editor-in-Chief, Journal of Chemometrics (1994-2007), Editorial Board Member of Nature Scientific Reports and Journal of Chemometrics, Winner of Best Applied Chemometrics Paper 2015 (Wiley, Kowalski Award).
Affiliations and expertise
Department of Chemistry and Biochemistry, University of Delaware, USA

RT

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). Main research interests in Chemometrics, especially in the development of multivariate curve resolution methods for the analysis of multiway and muliset data, and for their applications to Omic Sciences, Environmental Chemistry, Analytical and Bioanalytical Chemistry (hyphenated chromatography, spectroscopy, imaging, mass spectrometry, sensor development), and Solution Chemistry (Equilibria and Kinetics). Winner of 2009 Award for Achievements in Chemometrics (Eastern Analytical Symposium) and 2009 Kowalski Prize from the Journal of Chemometrics. Former president of the Catalan Chemistry Society (2008-2013). He has published 354 papers in ISI journals and has an h-index of 53.
Affiliations and expertise
Institute of Chemical and Environmental Research, CSIC, Spain

BW

Beata Walczak

Professor Walczak has been working in the Institute of Chemistry, University of Silesia since 1979, where now she is the head of the Department of Analytical Chemistry. She has authored and co-authored around 165 scientific papers, 400 conference papers, and delivered many invited lectures at international chemistry meetings. Currently she acts as Editor of the journal Chemometrics and Intelligent Laboratory Systems and of ‘Data Handling in Chemistry and Technology’ (the Elsevier book series), and as a member of the editorial boards of Talanta, Analytical Letters, J. Chemometrics, and Acta Chromatographica. She has been involved in chemometrics since the early 1990s and her main scientific interests are in all aspects of data exploration and modelling (dealing with missing and censored data, dealing with outliers, data representatively, enhancement of instrumental signals, signal warping, data compression, linear and non-linear projections, development of modeling approaches, feature selection techniques etc.). She has an h-index of 40.
Affiliations and expertise
Department of Chemometrics, Institute of Chemistry, University of Silesia, Poland

SB

Steven Brown

Expertise in chemical data analysis, including signal processing and detection, background removal, and transfer of multivariate calibrations. Data mining and knowledge discovery of chemical relationships involving multivariate data, including development of novel classifiers and hierarchical classification methods. Fusion of chemical sensor data for classification and calibration. Former EIC of Editor-in-Chief, Journal of Chemometrics (1994-2007), Editorial Board Member of Nature Scientific Reports and Journal of Chemometrics, Winner of Best Applied Chemometrics Paper 2015 (Wiley, Kowalski Award).
Affiliations and expertise
Department of Chemistry and Biochemistry, University of Delaware, USA

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