Chemometrics With R

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Chemometrics with R

Ron Wehrens
Chemometrics with R Book PDF

Author : Ron Wehrens
Publisher : Springer Nature
Page : 315 pages
File Size : 43,9 Mb
Release : 2020-08-20
Category : Medical
ISBN : 9783662620274

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Chemometrics with R by Ron Wehrens Pdf

This book offers readers an accessible introduction to the world of multivariate statistics in the life sciences, providing a comprehensive description of the general data analysis paradigm, from exploratory analysis (principal component analysis, self-organizing maps and clustering) to modeling (classification, regression) and validation (including variable selection). It also includes a special section discussing several more specific topics in the area of chemometrics, such as outlier detection, and biomarker identification. The corresponding R code is provided for all the examples in the book; and scripts, functions and data are available in a separate R package. This second revised edition features not only updates on many of the topics covered, but also several sections of new material (e.g., on handling missing values in PCA, multivariate process monitoring and batch correction).

Chemometrics with R

Ron Wehrens
Chemometrics with R Book PDF

Author : Ron Wehrens
Publisher : Springer Science & Business Media
Page : 286 pages
File Size : 50,5 Mb
Release : 2011-01-20
Category : Science
ISBN : 9783642178412

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Chemometrics with R by Ron Wehrens Pdf

"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.

Introduction to Multivariate Statistical Analysis in Chemometrics

Kurt Varmuza,Peter Filzmoser
Introduction to Multivariate Statistical Analysis in Chemometrics Book PDF

Author : Kurt Varmuza,Peter Filzmoser
Publisher : CRC Press
Page : 336 pages
File Size : 54,5 Mb
Release : 2016-04-19
Category : Science
ISBN : 1420059491

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Introduction to Multivariate Statistical Analysis in Chemometrics by Kurt Varmuza,Peter Filzmoser Pdf

Using formal descriptions, graphical illustrations, practical examples, and R software tools, Introduction to Multivariate Statistical Analysis in Chemometrics presents simple yet thorough explanations of the most important multivariate statistical methods for analyzing chemical data. It includes discussions of various statistical methods, such as principal component analysis, regression analysis, classification methods, and clustering. Written by a chemometrician and a statistician, the book reflects the practical approach of chemometrics and the more formally oriented one of statistics. To enable a better understanding of the statistical methods, the authors apply them to real data examples from chemistry. They also examine results of the different methods, comparing traditional approaches with their robust counterparts. In addition, the authors use the freely available R package to implement methods, encouraging readers to go through the examples and adapt the procedures to their own problems. Focusing on the practicality of the methods and the validity of the results, this book offers concise mathematical descriptions of many multivariate methods and employs graphical schemes to visualize key concepts. It effectively imparts a basic understanding of how to apply statistical methods to multivariate scientific data.

Chemometrics with R

Ron Wehrens
Chemometrics with R Book PDF

Author : Ron Wehrens
Publisher : Springer
Page : 300 pages
File Size : 47,6 Mb
Release : 2011-03-30
Category : Electronic
ISBN : 3642178421

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Chemometrics with R by Ron Wehrens Pdf

This accessible primer on multivariate statistics in the life sciences gives a full description of the general data analysis paradigm, from exploratory analysis to modeling to validation; covers other aspects of chemometrics; and supplies the relevant R code.

Comprehensive Chemometrics

Anonim
Comprehensive Chemometrics Book PDF

Author : Anonim
Publisher : Elsevier
Page : 2880 pages
File Size : 49,7 Mb
Release : 2009-03-09
Category : Science
ISBN : 9780444527011

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Comprehensive Chemometrics by Anonim Pdf

Designed to serve as the first point of reference on the subject, Comprehensive Chemometrics presents an integrated summary of the present state of chemical and biochemical data analysis and manipulation. The work covers all major areas ranging from statistics to data acquisition, analysis, and applications. This major reference work provides broad-ranging, validated summaries of the major topics in chemometrics—with chapter introductions and advanced reviews for each area. The level of material is appropriate for graduate students as well as active researchers seeking a ready reference on obtaining and analyzing scientific data. Features the contributions of leading experts from 21 countries, under the guidance of the Editors-in-Chief and a team of specialist Section Editors: L. Buydens; D. Coomans; P. Van Espen; A. De Juan; J.H. Kalivas; B.K. Lavine; R. Leardi; R. Phan-Tan-Luu; L.A. Sarabia; and J. Trygg Examines the merits and limitations of each technique through practical examples and extensive visuals: 368 tables and more than 1,300 illustrations (750 in full color) Integrates coverage of chemical and biological methods, allowing readers to consider and test a range of techniques Consists of 2,200 pages and more than 90 review articles, making it the most comprehensive work of its kind Offers print and online purchase options, the latter of which delivers flexibility, accessibility, and usability through the search tools and other productivity-enhancing features of ScienceDirect

Chemometrics

David R. Burgard,James T. Kuznicki
Chemometrics Book PDF

Author : David R. Burgard,James T. Kuznicki
Publisher : CRC Press
Page : 216 pages
File Size : 49,6 Mb
Release : 1990-08-27
Category : Medical
ISBN : 0849348641

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Chemometrics by David R. Burgard,James T. Kuznicki Pdf

Ranging from elegantly simple to extremely complex, a wide variety of flavors and fragrances stimulate our senses. It is difficult to understand the myriad sensory interactions involved because of the sheer complexity of their chemical composition. The aim of this text is to describe the use of chemometric techniques for understanding these complex systems and to serve as a practical guide to the acquisition, organization and reduction of chemical and sensory data. It explains chemical, sensory and multivariate analysis tools and their application. Pertinent concepts are discussed in-depth and are sufficiently illustrated with enough original data in complementary tables and figures to provide the basis for the execution of complex studies. The book emphasizes techniques that have been proven to work rather than those that "should" work from a theoretical standpoint. The book focuses on the acquisition of quality data and the subsequent interpretation of data rather than numerical computations used in data analysis. Chemometrics: Chemical and Sensory Data is an excellent resource for students and newcomers to flavor and fragrance research, as well as for experienced workers and product development managers.

Chemometric Techniques for Quantitative Analysis

Richard Kramer
Chemometric Techniques for Quantitative Analysis Book PDF

Author : Richard Kramer
Publisher : CRC Press
Page : 201 pages
File Size : 44,5 Mb
Release : 1998-06-10
Category : Science
ISBN : 9780824746384

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Chemometric Techniques for Quantitative Analysis by Richard Kramer Pdf

Chemometric Techniques for Quantitative Analysis shows how to produce and use quantitative analytical calibrations in a laboratory or production environment following a variety of methods, how to estimate the time and resources needed to develop analytical calibrations, and how to employ the quantitative software provided with a wide range of instruments and commercial software packages. Among several, this bestselling volume covers basic and classical approaches, component regression; PCR in action; partial least squares; PLS in action. An extensive appendix offers a glossary, a list of errors and tests for reduced Eigenvalues.

Chemometrics for Pattern Recognition

Richard G. Brereton
Chemometrics for Pattern Recognition Book PDF

Author : Richard G. Brereton
Publisher : John Wiley & Sons
Page : 522 pages
File Size : 40,9 Mb
Release : 2009-06-29
Category : Science
ISBN : 0470746475

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Chemometrics for Pattern Recognition by Richard G. Brereton Pdf

Over the past decade, pattern recognition has been one of the fastest growth points in chemometrics. This has been catalysed by the increase in capabilities of automated instruments such as LCMS, GCMS, and NMR, to name a few, to obtain large quantities of data, and, in parallel, the significant growth in applications especially in biomedical analytical chemical measurements of extracts from humans and animals, together with the increased capabilities of desktop computing. The interpretation of such multivariate datasets has required the application and development of new chemometric techniques such as pattern recognition, the focus of this work. Included within the text are: ‘Real world’ pattern recognition case studies from a wide variety of sources including biology, medicine, materials, pharmaceuticals, food, forensics and environmental science; Discussions of methods, many of which are also common in biology, biological analytical chemistry and machine learning; Common tools such as Partial Least Squares and Principal Components Analysis, as well as those that are rarely used in chemometrics such as Self Organising Maps and Support Vector Machines; Representation in full colour; Validation of models and hypothesis testing, and the underlying motivation of the methods, including how to avoid some common pitfalls. Relevant to active chemometricians and analytical scientists in industry, academia and government establishments as well as those involved in applying statistics and computational pattern recognition.

Chemometrics

Kenneth R. Beebe,Randy J. Pell,Mary Beth Seasholtz
Chemometrics Book PDF

Author : Kenneth R. Beebe,Randy J. Pell,Mary Beth Seasholtz
Publisher : Wiley-Interscience
Page : 376 pages
File Size : 54,7 Mb
Release : 1998-03-31
Category : Science
ISBN : STANFORD:36105020151697

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Chemometrics by Kenneth R. Beebe,Randy J. Pell,Mary Beth Seasholtz Pdf

An outstanding practical guide to the most common chemometric methods in use today Chemometrics explains how to apply the most widely used pattern recognition and multivariate calibration techniques to solve data analysis problems. This practical guide describes all key methods in terms of processes and applications in order to help the reader easily identify the best technique for a given situation. Drawing on years of industrial experience with chemometric tools, the authors share their six basic steps, or "habits," for achieving reliable chemometric results, and cover key areas such as: * Defining and understanding the problem * Experimental planning and design * Preprocessing of samples and variables * Supervised and unsupervised pattern recognition * Classical and inverse methods of multivariate calibration Complete with helpful chapter-end summaries, technical references, and more, this book is an invaluable hands-on resource for analytical chemists and laboratory scientists who use chemometrics in their work.

Chemometrics

Richard G. Brereton
Chemometrics Book PDF

Author : Richard G. Brereton
Publisher : John Wiley & Sons
Page : 504 pages
File Size : 46,7 Mb
Release : 2003-07-25
Category : Science
ISBN : 9780470845745

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Chemometrics by Richard G. Brereton Pdf

This book is aimed at the large number of people who need to use chemometrics but do not wish to understand complex mathematics, therefore it offers a comprehensive examination of the field of chemometrics without overwhelming the reader with complex mathematics. * Includes five chapters that cover the basic principles of chemometrics analysis. * Provides two chapters on the use of Excel and MATLAB for chemometrics analysis. * Contains 70 worked problems so that readers can gain a practical understanding of the use of chemometrics.

Applied Compositional Data Analysis

Peter Filzmoser,Karel Hron,Matthias Templ
Applied Compositional Data Analysis Book PDF

Author : Peter Filzmoser,Karel Hron,Matthias Templ
Publisher : Springer
Page : 280 pages
File Size : 55,8 Mb
Release : 2018-11-03
Category : Mathematics
ISBN : 9783319964225

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Applied Compositional Data Analysis by Peter Filzmoser,Karel Hron,Matthias Templ Pdf

This book presents the statistical analysis of compositional data using the log-ratio approach. It includes a wide range of classical and robust statistical methods adapted for compositional data analysis, such as supervised and unsupervised methods like PCA, correlation analysis, classification and regression. In addition, it considers special data structures like high-dimensional compositions and compositional tables. The methodology introduced is also frequently compared to methods which ignore the specific nature of compositional data. It focuses on practical aspects of compositional data analysis rather than on detailed theoretical derivations, thus issues like graphical visualization and preprocessing (treatment of missing values, zeros, outliers and similar artifacts) form an important part of the book. Since it is primarily intended for researchers and students from applied fields like geochemistry, chemometrics, biology and natural sciences, economics, and social sciences, all the proposed methods are accompanied by worked-out examples in R using the package robCompositions.

Chemometrics in Spectroscopy

Howard Mark,Jerry Workman Jr.
Chemometrics in Spectroscopy Book PDF

Author : Howard Mark,Jerry Workman Jr.
Publisher : Academic Press
Page : 1094 pages
File Size : 42,6 Mb
Release : 2021-09-30
Category : Science
ISBN : 9780323911702

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Chemometrics in Spectroscopy by Howard Mark,Jerry Workman Jr. Pdf

Chemometrics in Spectroscopy, Revised Second Edition provides the reader with the methodology crucial to apply chemometrics to real world data. The book allows scientists using spectroscopic instruments to find explanations and solutions to their problems when they are confronted with unexpected and unexplained results. Unlike other books on these topics, it explains the root causes of the phenomena that lead to these results. While books on NIR spectroscopy sometimes cover basic chemometrics, they do not mention many of the advanced topics this book discusses. This revised second edition has been expanded with 50% more content on advances in the field that have occurred in the last 10 years, including calibration transfer, units of measure in spectroscopy, principal components, clinical data reporting, classical least squares, regression models, spectral transfer, and more. Written in the column format of the authors’ online magazine Presents topical and important chapters for those involved in analysis work, both research and routine Focuses on practical issues in the implementation of chemometrics for NIR Spectroscopy Includes a companion website with 350 additional color figures that illustrate CLS concepts

Chemometrics and Cheminformatics in Aquatic Toxicology

Kunal Roy
Chemometrics and Cheminformatics in Aquatic Toxicology Book PDF

Author : Kunal Roy
Publisher : John Wiley & Sons
Page : 596 pages
File Size : 44,8 Mb
Release : 2022-01-06
Category : Science
ISBN : 9781119681595

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Chemometrics and Cheminformatics in Aquatic Toxicology by Kunal Roy Pdf

CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGY Explore chemometric and cheminformatic techniques and tools in aquatic toxicology Chemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticides, surfactants, dyes, and more. The book discusses different chemometric and cheminformatic tools for non-experts and their application to the analysis and modeling of toxicity data of chemicals to various aquatic organisms. You’ll learn about a variety of aquatic toxicity databases and chemometric software tools and webservers as well as practical examples of model development, including illustrations. You’ll also find case studies and literature reports to round out your understanding of the subject. Finally, you’ll learn about tools and protocols including machine learning, data mining, and QSAR and ligand-based chemical design methods. Readers will also benefit from the inclusion of: A thorough introduction to chemometric and cheminformatic tools and techniques, including machine learning and data mining An exploration of aquatic toxicity databases, chemometric software tools, and webservers Practical examples and case studies to highlight and illustrate the concepts contained within the book A concise treatment of chemometric and cheminformatic tools and their application to the analysis and modeling of toxicity data Perfect for researchers and students in chemistry and the environmental and pharmaceutical sciences, Chemometrics and Cheminformatics in Aquatic Toxicology will also earn a place in the libraries of professionals in the chemical industry and regulators whose work involves chemometrics.

The R Book

Michael J. Crawley
The R Book Book PDF

Author : Michael J. Crawley
Publisher : John Wiley & Sons
Page : 953 pages
File Size : 54,6 Mb
Release : 2007-06-13
Category : Mathematics
ISBN : 0470515066

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The R Book by Michael J. Crawley Pdf

The high-level language of R is recognized as one of the mostpowerful and flexible statistical software environments, and israpidly becoming the standard setting for quantitative analysis,statistics and graphics. R provides free access to unrivalledcoverage and cutting-edge applications, enabling the user to applynumerous statistical methods ranging from simple regression to timeseries or multivariate analysis. Building on the success of the author’s bestsellingStatistics: An Introduction using R, The R Book ispacked with worked examples, providing an all inclusive guide to R,ideal for novice and more accomplished users alike. The bookassumes no background in statistics or computing and introduces theadvantages of the R environment, detailing its applications in awide range of disciplines. Provides the first comprehensive reference manual for the Rlanguage, including practical guidance and full coverage of thegraphics facilities. Introduces all the statistical models covered by R, beginningwith simple classical tests such as chi-square and t-test. Proceeds to examine more advance methods, from regression andanalysis of variance, through to generalized linear models,generalized mixed models, time series, spatial statistics,multivariate statistics and much more. The R Book is aimed at undergraduates, postgraduates andprofessionals in science, engineering and medicine. It is alsoideal for students and professionals in statistics, economics,geography and the social sciences.

Chemometrics in Environmental Chemistry - Applications

Jürgen Einax
Chemometrics in Environmental Chemistry Applications Book PDF

Author : Jürgen Einax
Publisher : Springer
Page : 356 pages
File Size : 40,9 Mb
Release : 2013-06-29
Category : Science
ISBN : 9783540491507

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Chemometrics in Environmental Chemistry - Applications by Jürgen Einax Pdf

Pattern recognition and other chemometrical techniques are important tools in interpreting environmental data. This volume presents authoritatively state-of-the-art applications of measuring and handling environmental data. The chapters are written by leading experts.