R for Quantitative Chemistry

R for Quantitative Chemistry is a book that discusses the application of the R language to problems in quantitative chemistry. It covers topics such as basic statistics, spectroscopic data, acid-base equilibria, binding curves, Fourier transforms, and chemical kinetics and enzyme kinetics. It also discusses the simplex adaptation subplex (R package) coupled with Monte Carlo analysis to determine confidence intervals for estimated parameters. The book is designed for chemists who are interested in learning R as a research tool and for chemists who are teaching quantitative chemistry, as well as their students. It will be based on actual experimental data and will include end-of-chapter questions and projects. Readers are encouraged to email the author and follow the accompanying blog on Medium R Programming for Quantitative Chemistry.

Format: Hardback
Length: 110 pages
Publication date: 31 August 2023
Publisher: Taylor & Francis Ltd

R for Quantitative Chemistry is a comprehensive guide that delves into the application of the R language to address a diverse range of problems encountered in the field of Quantitative Chemistry, also known as Analytical Chemistry. This book offers a comprehensive exploration of various topics, including fundamental statistics, spectroscopic data analysis, acid-base equilibria and titrations, binding curves (with significant relevance in biomedical applications), Fourier Transforms, chemical kinetics, and enzyme kinetics.

One of the innovative aspects of this text is its discussion of the simplex adaptation subplex (R package) coupled with Monte Carlo analysis to determine confidence intervals for estimated parameters derived from least squares optimization. This approach provides a robust method for assessing the reliability of parameter estimates, particularly in cases where data is limited or uncertain.

This book is designed to appeal to a wide audience, including chemists interested in learning R as a research tool and chemists who teach Quantitative Chemistry, as well as their students. It stands out from other R books by focusing on data analysis from a chemical perspective, utilizing specific numerical models and R programming techniques tailored to the needs of chemists.

The book is structured with elements of R programming for chemists, providing a solid foundation for those new to the language. It includes literature-based examples that demonstrate the practical application of R in chemical analysis, making the concepts more accessible and relevant. Additionally, the book integrates theory, experiment, and R programming, providing a comprehensive approach to quantitative chemistry data analysis.

At the end of each chapter, readers are provided with end-of-chapter questions and projects to further reinforce the learning process. Furthermore, readers are encouraged to email the author at gosserch@gmail.com and follow the accompanying blog on Medium R Programming for Quantitative Chemistry, where they can find additional resources, updates, and discussions related to the field.

In summary, R for Quantitative Chemistry is a valuable resource for chemists seeking to leverage the power of R for data analysis and scientific computing in their quantitative chemistry endeavors. With its comprehensive coverage of topics, innovative approaches, and practical examples, this book empowers chemists to unlock the full potential of R in their research and teaching.

Weight: 390g
Dimension: 216 x 138 (mm)
ISBN-13: 9781032414799