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Chemometrics with R

Multivariate Data Analysis in the Natural Sciences and Life Sciences

  • Book
  • © 2011

Overview

Authors:
  1. Ron Wehrens

    1. , Research and Innovation Centre, Fondazione Edmund Mach, San Michele all'Adige, Italy

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  • Easy, non-mathematical approach to multivariate statistics in the life sciences
  • At the same time: not just a cookbook, but a discussion of theory as well
  • All examples in the book fully reproducible, R code given and discussed in text
  • Includes supplementary material: sn.pub/extras

Part of the book series: Use R! (USE R)

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Table of contents (11 chapters)

  1. Front Matter

    Pages i-xiv
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  2. Introduction

    • Ron Wehrens
    Pages 1-4

  3. Preliminaries

    1. Front Matter

      Pages 5-5
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    2. Data

      • Ron Wehrens
      Pages 7-12

    3. Preprocessing

      • Ron Wehrens
      Pages 13-39

  4. Exploratory Analysis

    1. Front Matter

      Pages 41-41
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    2. Principal Component Analysis

      • Ron Wehrens
      Pages 43-66

    3. Self-Organizing Maps

      • Ron Wehrens
      Pages 67-78

    4. Clustering

      • Ron Wehrens
      Pages 79-99

  5. Modelling

    1. Front Matter

      Pages 101-101
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    2. Classification

      • Ron Wehrens
      Pages 103-144

    3. Multivariate Regression

      • Ron Wehrens
      Pages 145-172

  6. Model Inspection

    1. Front Matter

      Pages 173-173
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    2. Validation

      • Ron Wehrens
      Pages 175-204

    3. Variable Selection

      • Ron Wehrens
      Pages 205-232

  7. Applications

    1. Front Matter

      Pages 233-233
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    2. Chemometric Applications

      • Ron Wehrens
      Pages 235-267

  8. Back Matter

    Pages 269-285
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Keywords

About this book

"Chemometrics with R" offers readers an accessible introduction to the world of multivariate statistics in the life sciences, providing a complete description of the general data analysis paradigm, from exploratory analysis to modeling to validation. Several more specific topics from the area of chemometrics are included in a special section. The corresponding R code is provided for all the examples in the book; scripts, functions and data are available in a separate, publicly available R package. For researchers working in the life sciences, the book can also serve as an easy-to-use primer on R.

Authors and Affiliations

  • , Research and Innovation Centre, Fondazione Edmund Mach, San Michele all'Adige, Italy

    Ron Wehrens

About the author

Ron Wehrens (1966) obtained a PhD in Chemometrics at the Radboud University Nijmegen, The Netherlands. He was a lecturer in Analytical Chemistry at the University of Twente, and later an associated professor at the Radboud University Nijmegen. Since January 2010, he is group leader in Biostatistics and Data Analysis at the Fondazione Edmund Mach in San Michele all'Adige, Italy.

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