R for Quantitative Chemistry

Gosser, David K.

  • 出版商: CRC
  • 出版日期: 2023-08-31
  • 售價: $2,940
  • 貴賓價: 9.5$2,793
  • 語言: 英文
  • 頁數: 110
  • 裝訂: Quality Paper - also called trade paper
  • ISBN: 1032415479
  • ISBN-13: 9781032415475
  • 相關分類: R 語言化學 Chemistry
  • 海外代購書籍(需單獨結帳)

商品描述

R for Quantitative Chemistry is an exploration of how the R language can be applied to a wide variety of problems in what is typically termed "Quantitative Chemistry" or sometimes "Analytical Chemistry". Topics include: basic statistics, spectroscopic data, acid base equilibria and titrations, binding curves (of great current interest for biomedical applications), Fourier Transforms, and chemical kinetics and enzyme kinetics. An innovative feature is the discussion (as an alternative to the less stable nls packages) of the simplex adaptation subplex (R package) coupled with Monte Carlo analysis to determine confidence intervals for estimated parameters resulting from least squares optimization. Chemists who are interested in learning R as a research tool as well as Chemists who are teaching Quantitative Chemistry, as well as their students will be interested. This book is useful as most R books approach data analysis from an economic, social, medical, or biological context. Analysis of chemical data draws upon specific numerical models and a different set R programming and packages than is typically discussed in other disciplines. This book will be based upon, in large part, actual experimental data and will include end of chapter questions and projects. Readers are encouraged to email the author at gosserch@gmail.com and to follow the accompanying blog on Medium "R Programming for Quantitative Chemistry".

Key Features:

  • Elements of R programming for Chemists
  • Literature Based Examples
  • Includes Binding Assay Analysis
  • Integrates theory, experiment, and R programming

商品描述(中文翻譯)

《R在量化化學中的應用》是一本探討如何將R語言應用於通常被稱為「量化化學」或有時稱為「分析化學」的各種問題的探索。主題包括:基本統計學、光譜數據、酸鹼平衡和滴定、結合曲線(對於生物醫學應用非常感興趣)、傅立葉變換以及化學動力學和酶動力學。一個創新的特點是討論(作為不太穩定的nls套件的替代方案)與蒙特卡羅分析相結合的simplex適應subplex(R套件),以確定由最小二乘優化得到的估計參數的置信區間。對於有興趣將R作為研究工具的化學家以及教授量化化學的化學家和他們的學生來說,這本書非常有用。這本書在很大程度上基於實際的實驗數據,並包含章末的問題和項目。鼓勵讀者通過電子郵件聯繫作者(gosserch@gmail.com),並關注Medium上的相應博客《R Programming for Quantitative Chemistry》。

主要特點:
- 化學家的R編程要素
- 基於文獻的例子
- 包括結合分析的分析
- 整合理論、實驗和R編程

作者簡介

Dr. David Gosser is a Professor of Chemistry at City College of New York, CUNY. Dr. Gosser received his Ph.D. in Physical Inorganic Chemistry from Brown University.

作者簡介(中文翻譯)

Dr. David Gosser 是紐約市立大學城市學院的化學教授。Dr. Gosser 在布朗大學取得物理無機化學的博士學位。