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Chemometrics Research Studies Series
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Book Synopsis Applied Chemometrics for Scientists by : Richard G. Brereton
Download or read book Applied Chemometrics for Scientists written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2007-04-02 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book introduces most of the basic tools of chemometrics including experimental design, signal analysis, statistical methods for analytical chemistry and multivariate methods. It then discusses a number of important applications including food chemistry, biological pattern recognition, reaction monitoring, optimisation of processes, medical applications. The book arises from a series of short articles that have been developed over four years on Chemweb (www.chemweb.com).
Book Synopsis Chemometrics by : Richard G. Brereton
Download or read book Chemometrics written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2003-07-25 with total page 504 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Chemometrics in Spectroscopy by : Howard Mark
Download or read book Chemometrics in Spectroscopy written by Howard Mark and published by Academic Press. This book was released on 2018-07-13 with total page 1092 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics in Spectroscopy, Second Edition, provides the reader with the methodology crucial to apply chemometrics to real world data. It 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. In addition, traditional chemometrics books do not cover spectroscopy to the point of understanding the basis for the underlying phenomena. The second edition has been expanded with 50% more content covering 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
Book Synopsis 40 Years of Chemometrics by : Barry K. Lavine
Download or read book 40 Years of Chemometrics written by Barry K. Lavine and published by ACS Symposium. This book was released on 2016-07 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Bruce Kowalski is recognized by the scientific community as the founder of the field of chemometrics. This Symposium Series text is a follow up to the Symposium Series Volume 52 (Chemometrics: Theory and Application), edited by Bruce Kowalski. All major areas in the field are well represented in this book: pattern recognition, library searching, multivariate calibration, multivariate curve resolution, variable selection, data fusion, calibration transfer, environmental chemometrics, forensics, and biological and mixture analysis. Many chapters have a link to previous work done by Bruce and will serve as a retrospective to the career of Bruce Kowalski, who believed that a rational approach was needed to improve both the quality of measurements and to extract information from them. This text will be of interest to individuals who are interested in modeling data. Interest in modeling data continues to grow with the emergence of new areas such as computational statistics, business intelligence, big data, and analytics. In chemistry, modeling of data has taken a different path as it has become integrated into the field of analytical chemistry. Because chemometrics is not well understood by chemists, this text should prove beneficial and be of great interest to researchers who need to take advantage of techniques such as principal component analysis, partial least squares, linear discriminant analysis and outlier analysis in their work. This text also highlights changes that have occurred in the field since its origins in the mid-1970's and will serve as a report on the current state of the art of the field of chemometrics.
Book Synopsis Chemometrics Applications and Research by : Andrew G. Mercader
Download or read book Chemometrics Applications and Research written by Andrew G. Mercader and published by CRC Press. This book was released on 2016-03-30 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: This important new book provides innovative material, including peer-reviewed chapters and survey articles on new applied research and development, in the scientifically important field of QSAR in medicinal chemistry. QSAR is a growing field because available computing power is continuously increasing, QSAR's potential is enormous, limited only by
Download or read book Chemometrics written by Matthias Otto and published by John Wiley & Sons. This book was released on 2016-09-30 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: The third edition of this long-selling introductory textbook and ready reference covers all pertinent topics, from basic statistics via modeling and databases right up to the latest regulatory issues. The experienced and internationally recognized author, Matthias Otto, introduces the statistical-mathematical evaluation of chemical measurements, especially analytical ones, going on to provide a modern approach to signal processing, designing and optimizing experiments, pattern recognition and classification, as well as modeling simple and nonlinear relationships. Analytical databases are equally covered as are applications of multiway analysis, artificial intelligence, fuzzy theory, neural networks, and genetic algorithms. The new edition has 10% new content to cover such recent developments as orthogonal signal correction and new data exchange formats, tree based classification and regression, independent component analysis, ensemble methods and neuro-fuzzy systems. It still retains, however, the proven features from previous editions: worked examples, questions and problems, additional information and brief explanations in the margin.
Book Synopsis Chemometrics and Cheminformatics in Aquatic Toxicology by : Kunal Roy
Download or read book Chemometrics and Cheminformatics in Aquatic Toxicology written by Kunal Roy and published by John Wiley & Sons. This book was released on 2022-01-06 with total page 596 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Chemometrics for Pattern Recognition by : Richard G. Brereton
Download or read book Chemometrics for Pattern Recognition written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2009-09-28 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Statistical Design - Chemometrics by : Roy E Bruns
Download or read book Statistical Design - Chemometrics written by Roy E Bruns and published by Elsevier. This book was released on 2006-01-27 with total page 423 pages. Available in PDF, EPUB and Kindle. Book excerpt: Statistical Design-Chemometrics is applicable to researchers and professionals who wish to perform experiments in chemometrics and carry out analysis of the data in the most efficient way possible. The language is clear, direct and oriented towards real applications. The book provides 106 exercises with answers to accompany the study of theoretical principles. Forty two cases studies with real data are presented showing designs and the complete statistical analyses for problems in the areas chromatography, electroanalytical and electrochemistry, calibration, polymers, gas adsorption, semiconductors, food technology, biotechnology, photochemistry, catalysis, detergents and ceramics. These studies serve as a guide that the reader can use to perform correct data analyses.-Provides 42 case studies containing step-by-step descriptions of calculational procedures that can be applied to most real optimization problems-Contains 106 theoretical exercises to test individual learning and to provide classroom exercises and material for written tests and exams-Written in a language that facilitates learning for physical and biological scientists and engineers-Takes a practical approach for those involved in industrial optimization problems
Book Synopsis Current Applications of Chemometrics by : Mohammadreza Khanmohammadi
Download or read book Current Applications of Chemometrics written by Mohammadreza Khanmohammadi and published by Nova Science Publishers. This book was released on 2014-12 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Known as a scientific domain in which the scientist would try to extract information from chemical systems by data-driven means, Chemometrics is a fast spreading field, being applied to solve both descriptive and predictive problems in experimental life sciences, especially in chemistry. It is defined as a highly interfacial discipline, which employs multivariate statistics, applied mathematics, and computer science via using methods frequently employed in core data-analytic, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering. Initiated by analysts, now the discipline is widened by other chemistry discipline researches and even those from medical and biological areas. Chemometric techniques are particularly heavily used in analytical chemistry and metabolomics, and the theoretical development of chemometric methods of analysis also continues to advance the state of the art in analytical instrumentation and methodology improvements. It is an application driven discipline, and thus while the standard chemometric methodologies are very widely used industrially, academic groups are dedicated to the continued development of chemometric theory, method and application development.
Book Synopsis Chemometrics and Chemoinformatics by : Barry K. Lavine
Download or read book Chemometrics and Chemoinformatics written by Barry K. Lavine and published by American Chemical Society. This book was released on 2005-11-24 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemometrics and Chemoinformatics will provide chemists and other scientists with the fundamental knowledge on chemometrics coupled with chemoinformatics.
Book Synopsis Chemometrics by : Richard G. Brereton
Download or read book Chemometrics written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2018-03-13 with total page 603 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Chemometrics written by David R. Burgard and published by CRC Press. This book was released on 2018-01-31 with total page 208 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Environmental Chemometrics by : Grady Hanrahan
Download or read book Environmental Chemometrics written by Grady Hanrahan and published by CRC Press. This book was released on 2008-11-21 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multivariate, heterogeneous data has been traditionally analyzed using the "one at a time" variable approach, often missing the main objective of discovering the relationships among multiple variables and samples. Enter chemometrics, with its powerful tools for design, analysis, and data interpretation of complex environmental systems. Delineating
Book Synopsis Data Science in Chemistry by : Thorsten Gressling
Download or read book Data Science in Chemistry written by Thorsten Gressling and published by Walter de Gruyter GmbH & Co KG. This book was released on 2020-11-23 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry, explaining how to use data science for deep insights and take chemical research and engineering to the next level. It covers modern aspects like Big Data, Artificial Intelligence and Quantum computing.
Book Synopsis Statistics for Analytical Chemistry by : Jane C. Miller
Download or read book Statistics for Analytical Chemistry written by Jane C. Miller and published by Ellis Horwood Limited. This book was released on 1992 with total page 227 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Applied Chemoinformatics by : Thomas Engel
Download or read book Applied Chemoinformatics written by Thomas Engel and published by John Wiley & Sons. This book was released on 2018-06-05 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: Edited by world-famous pioneers in chemoinformatics, this is a clearly structured and applications-oriented approach to the topic, providing up-to-date and focused information on the wide range of applications in this exciting field. The authors explain methods and software tools, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structure-spectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes. The book is aimed at advanced students as well as lectures but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks. Together with the corresponding textbook Chemoinformatics - Basic Concepts and Methods (ISBN 9783527331093) on the fundamentals of chemoinformatics readers will have a comprehensive overview of the field.
