Comprehensive Chemometrics

Chemical and Biochemical Data Analysis


  • Romà Tauler, Institute of Chemical and Environmental Research, CSIC, Spain
  • Beata Walczak, Department of Chemometrics, Institute of Chemistry, University of Silesia, Poland
  • Steven Brown, Department of Chemistry and Biochemistry, University of Delaware, USA

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


Book information

  • Published: March 2009
  • Imprint: ELSEVIER
  • ISBN: 978-0-444-52702-8


"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

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