Download or read book Practical Guide To Chemometrics written by Paul Gemperline and published by CRC Press. This book was released on 2006-04-16 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: The limited coverage of data analysis and statistics offered in most undergraduate and graduate analytical chemistry courses is usually focused on practical aspects of univariate methods. Drawing in real-world examples, Practical Guide to Chemometrics, Second Edition offers an accessible introduction to application-oriented multivariate meth
Download or read book Practical Guide To Chemometrics Second Edition written by Paul Gemperline and published by CRC Press. This book was released on 2006-04-16 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: The limited coverage of data analysis and statistics offered in most undergraduate and graduate analytical chemistry courses is usually focused on practical aspects of univariate methods. Drawing in real-world examples, Practical Guide to Chemometrics, Second Edition offers an accessible introduction to application-oriented multivariate methods of data analysis and procedures that are highly beneficial to solving a variety of problems using analytical chemistry and statistics. Rather than overshadowing the concepts with theoretical background, this book uses application-oriented examples to illustrate how chemometrics techniques can be applied to complex scenarios with multiple and dynamic variables. The book presents a diverse selection of topics that include sampling, modeling, experimental design, calibration, pattern recognition, data analysis techniques, algorithms, and error. This second edition has been completely revised to feature new chapters on principal component analysis, self-modeling curve resolution, and multi-way analysis methods. It includes expanded material on normal distributions, sampling theory, signal processing, and digital filtering. Embracing the growing role of chemometrics in some of the latest research trends, such as quantitative biology, bioinformatics, and proteomics, this book also identifies several areas for future development and applications. Practical Guide to Chemometrics, Second Edition continues to offer a reliable source of useful information in a style that is accessible to all levels of students, professionals, and researchers involved in analyzing scientific data.
Download or read book Chemometrics written by Kenneth R. Beebe and published by Wiley-Interscience. This book was released on 1998-03-31 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Practical Guide to Chemometrics written by Stephen Haswell and published by CRC Press. This book was released on 1992-01-28 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction for analytic chemists and other scientists who are involved with chemical analysis, to chemometrics, a developing technique that allows access to a greater amount of more reliable analytic information using existing instrumentation, than standard techniques. Focuses on laboratory ins
Download or read book Introduction to Multivariate Statistical Analysis in Chemometrics written by Kurt Varmuza and published by CRC Press. This book was released on 2016-04-19 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
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.
Download or read book Chemometrics in Excel written by Alexey L. Pomerantsev and published by John Wiley & Sons. This book was released on 2014-05-06 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing an easy explanation of the fundamentals, methods, and applications of chemometrics • Acts as a practical guide to multivariate data analysis techniques • Explains the methods used in Chemometrics and teaches the reader to perform all relevant calculations • Presents the basic chemometric methods as worksheet functions in Excel • Includes Chemometrics Add In for download which uses Microsoft Excel® for chemometrics training • Online downloads includes workbooks with examples
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 464 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 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 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
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.
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 422 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
Download or read book Practical Guide to Interpretive Near Infrared Spectroscopy written by Jerry Workman Jr. and published by CRC Press. This book was released on 2007-10-26 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Containing focused, comprehensive coverage, Practical Guide to Interpretive Near-Infrared Spectroscopy gives you the tools necessary to interpret NIR spectra. The authors present extensive tables, charts, and figures with NIR absorption band assignments and structural information for a broad range of functional groups, organic compounds, and
Download or read book Introduction to Multivariate Calibration written by Alejandro C. Olivieri and published by Springer. This book was released on 2018-08-20 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers an introductory-level guide to the complex field of multivariate analytical calibration, with particular emphasis on real applications such as near infrared spectroscopy. It presents intuitive descriptions of mathematical and statistical concepts, illustrated with a wealth of figures and diagrams, and consistently highlights physicochemical interpretation rather than mathematical issues. In addition, it describes an easy-to-use and freely available graphical interface, together with a variety of appropriate examples and exercises. Lastly, it discusses recent advances in the field (figures of merit, detection limit, non-linear calibration, method comparison), together with modern literature references.
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.
Download or read book Practical Guide and Spectral Atlas for Interpretive Near Infrared Spectroscopy Second Edition written by Jerry Workman, Jr. and published by CRC Press. This book was released on 2012-04-17 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interpretive spectroscopy provides a basis for the establishment of cause-and-effect relationships between NIR spectrometer response and the chemical properties of the samples. Without established cause-effect relationships, the measured data has no true predictive significance. This interpretive process is key for achieving an analytical understanding of the measurement. In the expanded second edition of Practical Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy, the authors include new research, editorials, supplements, and molecular structural formulas, along with updated references and information on NIR spectra. The thoroughly updated and revised second edition offers a full library of color spectra in a larger format to ensure clarity and reader comprehension. Providing a rich set of reference information required to interpret NIR spectra for research and industrial applications, this book: Offers more than 300 figures representing all the major functional groups and their NIR frequency ranges Contains over 120 pages of tables and charts illustrating overlapping spectra Covers NIR spectra for organic compounds, including alkanes, carboxylic acids, amines, dienes, alkynes, heterocyclic compounds, amino acids, and aldehydes Provides comprehensive appendices with spectra-structure correlations, example spectra, and other useful data for interpreting NIR spectra
Download or read book Practical Statistics for the Analytical Scientist written by Peter Bedson and published by Royal Society of Chemistry. This book was released on 2021-04-08 with total page 385 pages. Available in PDF, EPUB and Kindle. Book excerpt: Analytical chemists must use a range of statistical tools in their treatment of experimental data to obtain reliable results. Practical Statistics for the Analytical Scientist is a manual designed to help them negotiate the daunting specialist terminology and symbols. Prepared in conjunction with the Department of Trade and Industry's Valid Analytical Measurement (VAM) programme, this volume covers the basic statistics needed in the laboratory. It describes the statistical procedures that are most likely to be required including summary and descriptive statistics, calibration, outlier testing, analysis of variance and basic quality control procedures. To improve understanding, many examples provide the user with material for consolidation and practice. The fully worked answers are given both to check the correct application of the procedures and to provide a template for future problems. Practical Statistics for the Analytical Scientist will be welcomed by practising analytical chemists as an important reference for day to day statistics in analytical chemistry.
Download or read book Chemometrics for Pattern Recognition written by Richard G. Brereton and published by John Wiley & Sons. This book was released on 2009-06-29 with total page 522 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.
