Chemometrics

Statistics and Computer Application in Analytical Chemistry
Fourth Auflage
ISBN: 978-3-527-35266-1
Verlag: Wiley-VCH GmbH

Buch, Englisch, 432 Seiten, Format (B × H): 167 mm x 240 mm, Gewicht: 814 g

Chemometrics

Explore chemometrics from basic statistics to the latest artificial intelligence and neural network developments in this new edition

Chemometrics is an area of study combining chemistry and mathematics. It governs the interpretation of data generated by chemical analysis, and its growth as a subfield promises to streamline and revolutionize analytical chemistry.

Chemometrics has long been the leading introductory textbook in this subject. Beginning with an introduction to the statistical-mathematical evaluation of chemical measurements, it leads readers through modern chemometric approaches in a pedagogically sound and highly readable style. Now fully updated to reflect the latest research and applications of this exciting discipline, it provides essential tools for a new generation of analytical chemists.

Readers of the fourth edition of Chemometrics will also find: - New or expanded treatment of subjects such as deep learning, ANNOVA simultaneous component analysis, instrumental data output, and more
- Detailed discussion of approaches to signal processing, design and optimization of experiments, pattern recognition and classification, and many other areas
- Balance of theoretical and practical knowledge to enable rapid application of key techniques

Chemometrics is ideal for advanced students in chemistry, analytical chemistry, pharmaceutical chemistry, biochemistry, or related subjects, and as a useful reference for practicing researchers and laboratory professionals.

Autoren/Hrsg.

Otto, Matthias

Fachgebiete

• Naturwissenschaften Biowissenschaften Angewandte Biologie Biomathematik
• Technische Wissenschaften Verfahrenstechnik | Chemieingenieurwesen | Biotechnologie Verfahrenstechnik, Chemieingenieurwesen
• Naturwissenschaften Chemie Analytische Chemie

Inhaltsverzeichnis

Contents
 
List of Abbreviations VII
 
Symbols IX
 
1 What is Chemometrics?
1.1 The Computer-Based Laboratory
1.2 Statistics and Data Interpretation
1.3 Computer-Based Information Systems/Artificial Intelligence
General Reading
Questions and Problems
 
2 Basic Statistics
2.1 Descriptive Statistics
2.2 Statistical Tests
2.3 Analysis of Variance
General Reading
Questions and Problems
 
3 Signal Processing and Time Series Analysis
3.1 Signal Processing
3.2 Time Series Analysis
General Reading
Questions and Problems
 
4 Optimization and Experimental Design
4.1 Systematic Optimization
4.2 Objective Functions and Factors
4.3 Experimental Design and Response Surface Methods
4.4 Sequential Optimization: Simplex Method
General Reading
Questions and Problems
 
5 Pattern Recognition and Classification
5.1 Preprocessing of Data
5.2 Unsupervised Methods
5.3 Supervised Methods
General Reading
Questions and Problems
 
6 Modeling
6.1 Univariate Linear Regression
6.2 Multiple Linear Regression
6.3 Nonlinear Methods
General Reading
Questions and Problems
 
7 Analytical Databases
7.1 Representation of Analytical Information
7.2 Library Search
7.3 Simulation of Spectra
General Reading
Questions and Problems
 
8 Knowledge Processing and Soft Computing
8.1 Artificial Intelligence and Expert Systems
8.2 Neural Networks
8.3 Fuzzy Theory
8.4 Genetic Algorithms and Other Global Search
Strategies
General Reading
Questions and Problems
 
9 Quality Assurance and Good Laboratory Practice
9.1 Validation and Quality Control
9.2 Accreditation and Good Laboratory Practice
General Reading
Questions and Problems
Appendix
Index
 

 

Über Autor(innen)

Matthias Otto is Professor Emeritus of Analytical Chemistry at the TU Bergakademie Freiberg in Germany. He conducted his studies at the University of Leipzig before accepting a role as lecturer in Freiberg, Germany, where he was appointed full Professor in 1987. He has taught almost all aspects of analytical chemistry, mainly within the curricula of chemistry, applied sciences, and geoecology, and has organized courses in basic and advanced chemometrics.