Readers may approach this book with different levels of knowledge and expectations. All calculations, graphs and answers to the worked examples and problems may be produced either in Excel or MATLAB or in most chemometrics packages according to the experience of the reader. Datasets and extensive worked solutions to the problems, together with downloadable Excel macros and a comprehensive set of MATLAB procedures corresponding to the methods presented in the text are available on [external URL] The numerical answers have been very carefully validated and have been extensively tested in student seminars.
Points of View.
Software and Calculations.
2. EXPERIMENTAL DESIGN.
Central Composite or Response Surface Designs.
3. SIGNAL PROCESSING.
Sequential Signals in Chemistry.
Correlograms and Time Series Analysis.
Fourier Transform Techniques.
4. PATTERN RECOGNITION.
The Concept and Need for Principal Components Analysis.
Principal Components Analysis: the Method.
Unsupervised Pattern Recognition: Cluster Analysis.
Supervised Pattern Recognition.
Multiway Pattern Recognition.
Multiple Linear Regression.
Principal Components Regression.
Partial Least Squares.
6. EVOLUTIONARY SIGNALS.
Exploratory Data Analysis and Preprocessing.
A.1 Vectors and Matrices.
A.3 Basic Statistical Concepts.
A.4 Excel for Chemometrics.
A.5 Matlab for Chemometrics.
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"...a useful introductory overview of a wide range of chemometric techniques..." (Organic Process Research & Development)
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"...good job of explaining the nuts and bolts...recommend this book to anyone who wants to spend the time learning..." (Canadian Society of Forensic Science Journal, Vol 37(2), June 2004)
""...offers a comprehensive, practice–orientated examination of the field without overwhelming the reader with complex mathematics." (Metrohmm Information, Vol.33, No.3, 2004)