Introduction to Multivariate Statistical Analysis in Chemometrics

2016-04-19
 |  Science
Introduction to Multivariate Statistical Analysis in Chemometrics

Author: Kurt Varmuza

Publisher: CRC Press

ISBN: 1420059491

Category: Science

Page: 336

View: 438

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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

2018-05-29
 |  Science
Chemometrics

Author: Richard G. Brereton

Publisher: John Wiley & Sons

ISBN: 9781118904664

Category: Science

Page: 457

View: 321

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A new, full-color, completely updated edition of the key practical guide to chemometrics This new edition of this practical guide on chemometrics, emphasizes the principles and applications behind the main ideas in the field using numerical and graphical examples, which can then be applied to a wide variety of problems in chemistry, biology, chemical engineering, and allied disciplines. Presented in full color, it features expansion of the principal component analysis, classification, multivariate evolutionary signal and statistical distributions sections, and new case studies in metabolomics, as well as extensive updates throughout. Aimed at the large number of users of chemometrics, it includes extensive worked problems and chapters explaining how to analyze datasets, in addition to updated descriptions of how to apply Excel and Matlab for chemometrics. Chemometrics: Data Driven Extraction for Science, Second Edition offers chapters covering: experimental design, signal processing, pattern recognition, calibration, and evolutionary data. The pattern recognition chapter from the first edition is divided into two separate ones: Principal Component Analysis/Cluster Analysis, and Classification. It also includes new descriptions of Alternating Least Squares (ALS) and Iterative Target Transformation Factor Analysis (ITTFA). Updated descriptions of wavelets and Bayesian methods are included. Includes updated chapters of the classic chemometric methods (e.g. experimental design, signal processing, etc.) Introduces metabolomics-type examples alongside those from analytical chemistry Features problems at the end of each chapter to illustrate the broad applicability of the methods in different fields Supplemented with data sets and solutions to the problems on a dedicated website, www.booksupport.wiley.com Chemometrics: Data Driven Extraction for Science, Second Edition is recommended for post-graduate students of chemometrics as well as applied scientists (e.g. chemists, biochemists, engineers, statisticians) working in all areas of data analysis.

Modern Statistical Methods for Astronomy

2012-07-12
 |  Science
Modern Statistical Methods for Astronomy

Author: Eric D. Feigelson

Publisher: Cambridge University Press

ISBN: 9781139536097

Category: Science

Page: 490

View: 168

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Modern astronomical research is beset with a vast range of statistical challenges, ranging from reducing data from megadatasets to characterizing an amazing variety of variable celestial objects or testing astrophysical theory. Linking astronomy to the world of modern statistics, this volume is a unique resource, introducing astronomers to advanced statistics through ready-to-use code in the public domain R statistical software environment. The book presents fundamental results of probability theory and statistical inference, before exploring several fields of applied statistics, such as data smoothing, regression, multivariate analysis and classification, treatment of nondetections, time series analysis, and spatial point processes. It applies the methods discussed to contemporary astronomical research datasets using the R statistical software, making it invaluable for graduate students and researchers facing complex data analysis tasks. A link to the author's website for this book can be found at www.cambridge.org/msma. Material available on their website includes datasets, R code and errata.

Chemoinformatics

2018-05-18
 |  Science
Chemoinformatics

Author: Thomas Engel

Publisher: John Wiley & Sons

ISBN: 9783527693771

Category: Science

Page: 608

View: 519

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This essential guide to the knowledge and tools in the field includes everything from the basic concepts to modern methods, while also forming a bridge to bioinformatics. The textbook offers a very clear and didactical structure, starting from the basics and the theory, before going on to provide an overview of the methods. Learning is now even easier thanks to exercises at the end of each section or chapter. Software tools are explained in detail, so that the students not only learn the necessary theoretical background, but also how to use the different software packages available. The wide range of applications is presented in the corresponding book Applied Chemoinformatics - Achievements and Future Opportunities (ISBN 9783527342013). For Master and PhD students in chemistry, biochemistry and computer science, as well as providing an excellent introduction for other newcomers to the field.

Chemometrics and Cheminformatics in Aquatic Toxicology

2022-01-06
 |  Science
Chemometrics and Cheminformatics in Aquatic Toxicology

Author: Kunal Roy

Publisher: John Wiley & Sons

ISBN: 9781119681595

Category: Science

Page: 596

View: 646

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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.

Mathematical and Statistical Methods in Food Science and Technology

2014-03-03
 |  Technology & Engineering
Mathematical and Statistical Methods in Food Science and Technology

Author: Daniel Granato

Publisher: John Wiley & Sons

ISBN: 9781118433683

Category: Technology & Engineering

Page: 540

View: 211

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Mathematical and Statistical Approaches in Food Science and Technology offers an accessible guide to applying statistical and mathematical technologies in the food science field whilst also addressing the theoretical foundations. Using clear examples and case-studies by way of practical illustration, the book is more than just a theoretical guide for non-statisticians, and may therefore be used by scientists, students and food industry professionals at different levels and with varying degrees of statistical skill.

Modern Techniques for Food Authentication

2018-07-25
 |  Medical
Modern Techniques for Food Authentication

Author: Da-Wen Sun

Publisher: Academic Press

ISBN: 9780128142653

Category: Medical

Page: 805

View: 654

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Modern Techniques for Food Authentication, Second Edition presents a comprehensive review of the novel techniques available to authenticate food products, including various spectroscopic technologies, methods based on isotopic analysis and chromatography, and other techniques based on DNA, enzymatic analysis and electrophoresis. This new edition pinpoints research and development trends for those working in research, development and operations in the food industry, giving them readily accessible information on modern food authentication techniques to ensure a safe and authentic food supply. It will also serve as an essential reference source to undergraduate and postgraduate students, and for researchers in universities and research institutions. Presents emerging imaging techniques that have proven to be powerful, non-destructive tools for food authentication Includes applications of hyperspectral imaging to reflect the current trend of developments in food imaging technology for each topic area Provides pixel level visualization techniques needed for fast and effective food sample testing Contains two new chapters on Imaging Spectroscopic Techniques

Mathematical and Statistical Applications in Food Engineering

2020-01-30
 |  Mathematics
Mathematical and Statistical Applications in Food Engineering

Author: Surajbhan Sevda

Publisher: CRC Press

ISBN: 9780429792526

Category: Mathematics

Page: 442

View: 165

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Written by experts from all over the world, the book comprises the latest applications of mathematical and models in food engineering and fermentation. It provides the fundamentals on statistical methods to solve standard problems associated with food engineering and fermentation technology. Combining theory with a practical, hands-on approach, this book covers key aspects of food engineering. Presenting cuttingedge information, the book is an essential reference on the fundamental concepts associated with food engineering.

Tracking Environmental Change Using Lake Sediments

2012-04-08
 |  Science
Tracking Environmental Change Using Lake Sediments

Author: John B.H. Birks

Publisher: Springer Science & Business Media

ISBN: 9789400727441

Category: Science

Page: 751

View: 851

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Numerical and statistical methods have rapidly become part of a palaeolimnologist’s tool-kit. They are used to explore and summarise complex data, reconstruct past environmental variables from fossil assemblages, and test competing hypotheses about the causes of observed changes in lake biota through history. This book brings together a wide array of numerical and statistical techniques currently available for use in palaeolimnology and other branches of palaeoecology. ​ Visit http://extras.springer.com the Springer's Extras website to view data-sets, figures, software, and R scripts used or mentioned in this book.

Tracking Environmental Change Using Lake Sediments

2012-04-06
 |  Science
Tracking Environmental Change Using Lake Sediments

Author: H. John B. Birks

Publisher: Springer Science & Business Media

ISBN: 9789400727458

Category: Science

Page: 745

View: 172

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Numerical and statistical methods have rapidly become part of a palaeolimnologist’s tool-kit. They are used to explore and summarise complex data, reconstruct past environmental variables from fossil assemblages, and test competing hypotheses about the causes of observed changes in lake biota through history. This book brings together a wide array of numerical and statistical techniques currently available for use in palaeolimnology and other branches of palaeoecology. ​ Visit http://extras.springer.com the Springer's Extras website to view data-sets, figures, software, and R scripts used or mentioned in this book.

Computational and Statistical Methods for Chemical Engineering

2022-12-19
 |  Science
Computational and Statistical Methods for Chemical Engineering

Author: Wim P. Krijnen

Publisher: CRC Press

ISBN: 9781000822625

Category: Science

Page: 388

View: 824

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In the recent decades, the emerging new molecular measurement techniques and their subsequent availability in chemical database has allowed easier retrieval of the associated data by the chemical analyst. Before the data revolution, most books focused either on mathematical modeling of chemical processes or exploratory chemometrics. Computational and Statistical Methods for Chemical Engineering aims to combine these two approaches and provide aspiring chemical engineers a single, comprehensive account of computational and statistical methods. The book consists of four parts: Part I discusses the necessary calculus, linear algebra, and probability background that the student may or may not have encountered before. Part II provides an overview on standard computational methods and approximation techniques useful for chemical engineering systems. Part III covers the most important statistical models, starting from simple measurement models, via linear models all the way to multivariate, non-linear stochiometric models. Part IV focuses on the importance of designed experiments and robust analyses. Each chapter is accompanied by an extensive selection of theoretical and practical exercises. The book can be used in combination with any modern computational environment, such as R, Python and MATLAB. Given its easy and free availability, the book includes a bonus chapter giving a simple introduction to R programming. This book is particularly suited for undergraduate students in Chemical Engineering who require a semester course in computational and statistical methods. The background chapters on calculus, linear algebra and probability make the book entirely self-contained. The book takes its examples from the field of chemistry and chemical engineering. In this way, it motivates the student to engage actively with the material and to master the techniques that have become crucial for the modern chemical engineer.

Chemometric Methods in Analytical Spectroscopy Technology

2022-05-23
 |  Science
Chemometric Methods in Analytical Spectroscopy Technology

Author: Xiaoli Chu

Publisher: Springer Nature

ISBN: 9789811916250

Category: Science

Page: 596

View: 915

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This book discusses chemometric methods for spectroscopy analysis including NIR, MIR, Raman, NMR, and LIBS, from the perspective of practical applied spectroscopy. It covers all aspects of chemometrics associated with analytical spectroscopy, including representative sample selection algorithm, outlier detection algorithm, model updating and maintenance algorithm and strategy and calibration performance evaluation methods.To provide a systematic and comprehensive overview the latest progress of chemometric methods including recent scientific research and practical applications are presented. In addition the book also highlights the improvement of classical algorithms and the extension of common strategies. It is therefore useful as a reference book for researchers engaged in analytical spectroscopy technology, chemometrics, analytical instruments and other related fields.