Nature-inspired Methods in Chemometrics: Genetic Algorithms and Artificial Neural Networks

Nature-inspired Methods in Chemometrics: Genetic Algorithms and Artificial Neural Networks

Author: Riccardo Leardi

Publisher: Elsevier

ISBN: 0080522629

Category: Science

Page: 402

View: 444

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In recent years Genetic Algorithms (GA) and Artificial Neural Networks (ANN) have progressively increased in importance amongst the techniques routinely used in chemometrics. This book contains contributions from experts in the field is divided in two sections (GA and ANN). In each part, tutorial chapters are included in which the theoretical bases of each technique are expertly (but simply) described. These are followed by application chapters in which special emphasis will be given to the advantages of the application of GA or ANN to that specific problem, compared to classical techniques, and to the risks connected with its misuse. This book is of use to all those who are using or are interested in GA and ANN. Beginners can focus their attentions on the tutorials, whilst the most advanced readers will be more interested in looking at the applications of the techniques. It is also suitable as a reference book for students. Subject matter is steadily increasing in importance Comparison of Genetic Algorithms (GA) and Artificial Neural Networks (ANN) with the classical techniques Suitable for both beginners and advanced researchers

Comprehensive Chemometrics

Comprehensive Chemometrics

Author: Steven Brown

Publisher: Elsevier

ISBN: 9780444641663

Category: Science

Page: 2944

View: 137

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Comprehensive Chemometrics, Second Edition features expanded and updated coverage, along with new content that covers advances in the field since the previous edition published in 2009. Subject of note include updates in the fields of multidimensional and megavariate data analysis, omics data analysis, big chemical and biochemical data analysis, data fusion and sparse methods. The book follows a similar structure to the previous edition, using the same section titles to frame articles. Many chapters from the previous edition are updated, but there are also many new chapters on the latest developments. Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience Presents integrated reviews of each chemical and biological method, examining their merits and limitations through practical examples and extensive visuals Bridges a gap in knowledge, covering developments in the field since the first edition published in 2009 Meticulously organized, with articles split into 4 sections and 12 sub-sections on key topics to allow students, researchers and professionals to find relevant information quickly and easily Written by academics and practitioners from various fields and regions to ensure that the knowledge within is easily understood and applicable to a large audience

Comprehensive Chemometrics

Comprehensive Chemometrics

Author: Steven Brown

Publisher: Elsevier

ISBN: 9780444527011

Category: Science

Page: 691

View: 568

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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

Chemometric Methods in Capillary Electrophoresis

Chemometric Methods in Capillary Electrophoresis

Author: Grady Hanrahan

Publisher: John Wiley & Sons

ISBN: 0470530189

Category: Science

Page: 336

View: 167

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Use chemometric techniques to develop optimum separation conditions for capillary electrophoreses For all its advantages, capillary electrophoresis (CE) also carries significant disadvantages for the researcher. Offering a unique blend of information from authors active in a variety of developments of chemometrics in CE, Chemometric Methods in Capillary Electrophoresis presents modern chemometric methods as an alternative to help alleviate the problems commonly encountered during routine analysis and method development. Focusing on current chemometric methods utilized in CE endeavours by research-active experts in the field, the book begins with a thorough introduction to CE and chemometric-related concepts and the need for modern chemometric methods in CE. Part 1 discusses differing types of screening designs and response surface methodology¿in an¿application based format Part 2 includes vital discussion on various exploratory data analysis, prediction, and classification techniques utilized in CE-related studies Part 3 provides practical information on modelling quantitative structure relationships Part 4 explores transformation techniques, in particular fundamental studies and applications of cross-correlation and Hadamard Transform Electrophoresis Showing how chemometric methods are applied in a wide array of applications including biological, medical, pharmaceutical, food, forensic, and environmental science, Chemometric Methods in Capillary Electrophoresis is not only highly significant to capillary electrophoresis-based endeavours, but instructive for investigators active in other areas of separation science who could benefit from its informative content.

Introduction to Multivariate Statistical Analysis in Chemometrics

Introduction to Multivariate Statistical Analysis in Chemometrics

Author: Kurt Varmuza

Publisher: CRC Press

ISBN: 1420059491

Category: Science

Page: 336

View: 807

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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 in Food Chemistry

Chemometrics in Food Chemistry

Author:

Publisher: Newnes

ISBN: 9780444595294

Category: Science

Page: 512

View: 262

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The issues related to food science and authentication are of particular importance for researchers, consumers and regulatory entities. The need to guarantee quality foodstuff – where the word "quality" encompasses many different meanings, including e.g. nutritional value, safety of use, absence of alteration and adulterations, genuineness, typicalness, etc. – has led researchers to look for increasingly effective tools to investigate and deal with food chemistry problems. As even the simplest food is a complex matrix, the way to investigate its chemistry cannot be other than multivariate. Therefore, chemometrics is a necessary and powerful tool for the field of food analysis and control. For food science in general and food analysis and control in particular, there are several problems for which chemometrics are of utmost importance. Traceability, i.e. the possibility of verifying the animal/botanical, geographical and/or productive origin of a foodstuff, is, for instance, one area where the use of chemometric techniques is not only recommended but essential: indeed, at present no specific chemical and/or physico-chemical markers have been identified that can be univocally linked to the origin of a foodstuff and the only way of obtaining reliable traceability is by means of multivariate classification applied to experimental fingerprinting results. Another area where chemometrics is of particular importance is in building the bridge between consumer preferences, sensory attributes and molecular profiling of food: by identifying latent structures among the data tables, bilinear modeling techniques (such as PCA, MCR, PLS and its various evolutions) can provide an interpretable and reliable connection among these domains. Other problems include process control and monitoring, the possibility of using RGB or hyperspectral imaging techniques to nondestructively check food quality, calibration of multidimensional or hyphenated instruments etc.

Molecular Descriptors for Chemoinformatics

Molecular Descriptors for Chemoinformatics

Author: Roberto Todeschini

Publisher: John Wiley & Sons

ISBN: 3527628770

Category: Science

Page: 1257

View: 407

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The number-one reference on the topic now contains a wealth of new data: The entire relevant literature over the past six years has been painstakingly surveyed, resulting in hundreds of new descriptors being added to the list, and some 3,000 new references in the bibliography section. Volume 1 contains an alphabetical listing of more than 3300 descriptors and related terms for chemoinformatic analysis of chemical compound properties, while the second volume lists over 6,000 references selected from 450 journals. To make the data even more accessible, the introductory section has been completely re-written and now contains several "walk-through" reading lists of selected keywords for novice users.

Modern Techniques for Food Authentication

Modern Techniques for Food Authentication

Author: Da-Wen Sun

Publisher: Academic Press

ISBN: 9780128142653

Category: Medical

Page: 805

View: 453

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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

Ecotoxicology Modeling

Ecotoxicology Modeling

Author: James Devillers

Publisher: Springer Science & Business Media

ISBN: 1441901973

Category: Science

Page: 412

View: 388

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Ecotoxicology Modeling is a comprehensive and well-documented text providing a collection of computational methods to the ecotoxicologists primarily interested in the study of the adverse effects of chemicals, their mechanisms of action and/or their environmental fate and behavior. Avoiding mathematical jargon, the book presents numerous case studies to enable the reader to understand the interest but also the limitations of linear and nonlinear models in ecotoxicology. Written by an international team of scientists, Ecotoxicology Modeling is of primary interest to those whose research or professional activity is directly concerned with the development and application of models in ecotoxicology. It is also intended to provide the graduate and post-graduate students with a clear and accessible text covering the main types of modeling approaches used in environmental sciences.

Handbook of Water Analysis

Handbook of Water Analysis

Author: Leo M.L. Nollet

Publisher: CRC Press

ISBN: 9781439889664

Category: Science

Page: 995

View: 269

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Extensively revised and updated, Handbook of Water Analysis, Third Edition provides current analytical techniques for detecting various compounds in water samples. Maintaining the detailed and accessible style of the previous editions, this third edition demonstrates water sampling and preservation methods by enumerating different ways to measure c

In Silico Bees

In Silico Bees

Author: James Devillers

Publisher: CRC Press

ISBN: 9781000219012

Category: Nature

Page: 308

View: 802

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Bees are critically important for ecosystem function and biodiversity maintenance through their pollinating activity. This book provides a collection of computational methods to those primarily interested in the study of the ecology, ethology, and ecotoxicology of bees. It presents numerous case studies to enable readers to understand the appropriateness but also the limitations of models in theoretical and applied bee research. Written by an international team of experts, this book covers the main types of modeling approaches that can be used in terrestrial ecology and applied ecotoxicology.

Chromatographic Analysis of the Environment, Third Edition

Chromatographic Analysis of the Environment, Third Edition

Author: Leo M.L. Nollet

Publisher: CRC Press

ISBN: 9781420027983

Category: Science

Page: 1290

View: 103

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Chromatographic Analysis of the Environment, Third Edition is a detailed handbook on different chromatographic analysis techniques and chromatographic data for compounds found in air, water, soil, and sludge. Taking on a new perspective from previous editions, this third edition discusses the parameters of each environmental compartment in a consistent format that highlights preparation techniques, chromatographic separation methods, and detection methods. Most of the data are compiled in tables and figures to elucidate the text as needed. Separate chapters approach specific aspects of sampling methods especially designed for environmental purposes, quantification of environmental analytes in difficult matrices, and data handling. The second part of the book focuses on the analysis of hazardous chemicals in the environment, including volatile organic carbons (VOCs), polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), and endocrine-disrupting chemicals (EDCs). In addition, the authors feature information on compounds such as phosphates, organic acids, halogenated VOCs, amines, and n-ntirosamines, isocyanates, phthalate esters, and humic substances. Presenting important theoretical and practical aspects from sample collection to laboratory analysis, Chromatographic Analysis of the Environment, Third Edition is a unique resource of chromatographic techniques, data, and references that are useful to all scientists involved in the analysis of environmental compounds.