Published on Aug 17, 2024.

The origin of this book arose when the authors saw the need to write theoretical and experimental material for the Chemometrics discipline of the undergraduate and postgraduate Chemistry course at UFRN/Brazil. The R programming language was chosen in this book because it presents a free, easily accessible work environment, rich in a variety of packages and various statistical tools capable of exploring different functionalities through different means and formats. Furthermore, with the versatility of being able to work through a command line or through menus pre-defined by the software itself, it is very accessible and practical to explore the main concepts of Chemometrics.
The main topics of Chemometrics that are explored in undergraduate and postgraduate courses at UFRN are, among them, Descriptive Statistics and their properties (Chapter 1), Design and Optimization of Experiments (Chapter 2), Pattern Recognition (Chapter 3), Higher-order Multivariate Classification (Chapter 4), Higher-order Multivariate Regression (Chapter 5) and Digital Images (Chapter 6). All chapters contain the fundamentals descriptions and examples on simulated or real data through scripts in the R language. In addition, the book presents an appendix which brings together the main scripts in the R language for importing, pre-processing and organizing matrices that are necessary for the development of multivariate models. Finally, to encourage learning, proposed exercises were created so that students can try to answer them based on theory and solved examples in each chapter.

The authors