Chemometrics - Statistics and Computer Application in Analytical Chemistry

Serving as both an introductory text and practical approach, covers all relevant chemometric topics from basic statistics, via modeling and databases right up to the latest artificial intelligence and neural network developments.

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