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