Handbook of Water Analysis

Handbook of Water Analysis

Author: Leo M.L. Nollet

Publisher: CRC Press

ISBN: 9781439889664

Category: Science

Page: 995

View: 832

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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

Statistical Design - Chemometrics

Statistical Design - Chemometrics

Author: Roy E Bruns

Publisher: Elsevier

ISBN: 0080462138

Category: Science

Page: 422

View: 565

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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

Chemoinformatics

Chemoinformatics

Author: Thomas Engel

Publisher: John Wiley & Sons

ISBN: 9783527693771

Category: Science

Page: 608

View: 542

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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 in Chromatography

Chemometrics in Chromatography

Author: Łukasz Komsta

Publisher: CRC Press

ISBN: 9781351650441

Category: Science

Page: 678

View: 112

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Chemometrics uses advanced mathematical and statistical algorithms to provide maximum chemical information by analyzing chemical data, and obtain knowledge of chemical systems. Chemometrics significantly extends the possibilities of chromatography and with the technological advances of the personal computer and continuous development of open-source software, many laboratories are interested in incorporating chemometrics into their chromatographic methods. This book is an up-to-date reference that presents the most important information about each area of chemometrics used in chromatography, demonstrating its effective use when applied to a chromatographic separation.

Applied Chemometrics for Scientists

Applied Chemometrics for Scientists

Author: Richard G. Brereton

Publisher: John Wiley & Sons

ISBN: 9780470057773

Category: Science

Page: 396

View: 410

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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).

Chemometrics for Pattern Recognition

Chemometrics for Pattern Recognition

Author: Richard G. Brereton

Publisher: John Wiley & Sons

ISBN: 0470746475

Category: Science

Page: 522

View: 638

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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.

Practical Data Analysis in Chemistry

Practical Data Analysis in Chemistry

Author: Marcel Maeder

Publisher: Elsevier

ISBN: 0080548830

Category: Science

Page: 340

View: 224

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The majority of modern instruments are computerised and provide incredible amounts of data. Methods that take advantage of the flood of data are now available; importantly they do not emulate 'graph paper analyses' on the computer. Modern computational methods are able to give us insights into data, but analysis or data fitting in chemistry requires the quantitative understanding of chemical processes. The results of this analysis allows the modelling and prediction of processes under new conditions, therefore saving on extensive experimentation. Practical Data Analysis in Chemistry exemplifies every aspect of theory applicable to data analysis using a short program in a Matlab or Excel spreadsheet, enabling the reader to study the programs, play with them and observe what happens. Suitable data are generated for each example in short routines, this ensuring a clear understanding of the data structure. Chapter 2 includes a brief introduction to matrix algebra and its implementation in Matlab and Excel while Chapter 3 covers the theory required for the modelling of chemical processes. This is followed by an introduction to linear and non-linear least-squares fitting, each demonstrated with typical applications. Finally Chapter 5 comprises a collection of several methods for model-free data analyses. * Includes a solid introduction to the simulation of equilibrium processes and the simulation of complex kinetic processes. * Provides examples of routines that are easily adapted to the processes investigated by the reader * 'Model-based' analysis (linear and non-linear regression) and 'model-free' analysis are covered

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: 886

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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