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Author: P Valko
Publisher: Elsevier
ISBN: 0080868312
Category : Science
Languages : en
Pages : 340
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Book Description
This book gives a practical introduction to numerical methods and presents BASIC subroutines for real-life computations in the areas of chemistry, biology, and pharmacology. The choice of BASIC as the programming language is motivated by its simplicity, its availability on all personal computers and by its power in data acquisition. While most of the scientific packages currently available in BASIC date back to the period of limited memory and speed, the subroutines presented here can handle a broad range of realistic problems with the power and sophistication needed by professionals and with simple, step-by-step instructions for students and beginners.Please note that a diskette containing the 37 program modules and 39 sample programs listed in the book is no longer available.The main task considered in the book is that of extracting useful information from measurements via modelling, simulation, and statistical data evaluations. Efficient and robust numerical methods have been chosen to solve related problems in numerical algebra, nonlinear equations and optimization, parameter estimation, signal processing, and differential equations. For each class of routines an introduction to the relevant theory and techniques is given, so that the reader will recognise and use the appropriate method for solving his or her particular problem. Simple examples illustrate the use and applicability of each method.
Author: P Valko
Publisher: Elsevier
ISBN: 0080868312
Category : Science
Languages : en
Pages : 340
Get Book Here
Book Description
This book gives a practical introduction to numerical methods and presents BASIC subroutines for real-life computations in the areas of chemistry, biology, and pharmacology. The choice of BASIC as the programming language is motivated by its simplicity, its availability on all personal computers and by its power in data acquisition. While most of the scientific packages currently available in BASIC date back to the period of limited memory and speed, the subroutines presented here can handle a broad range of realistic problems with the power and sophistication needed by professionals and with simple, step-by-step instructions for students and beginners.Please note that a diskette containing the 37 program modules and 39 sample programs listed in the book is no longer available.The main task considered in the book is that of extracting useful information from measurements via modelling, simulation, and statistical data evaluations. Efficient and robust numerical methods have been chosen to solve related problems in numerical algebra, nonlinear equations and optimization, parameter estimation, signal processing, and differential equations. For each class of routines an introduction to the relevant theory and techniques is given, so that the reader will recognise and use the appropriate method for solving his or her particular problem. Simple examples illustrate the use and applicability of each method.
Author: J. Zupan
Publisher: Elsevier
ISBN: 0080868320
Category : Science
Languages : en
Pages : 233
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Book Description
The book first introduces the reader to the fundamentals of experimental design. Systems theory, response surface concepts, and basic statistics serve as a basis for the further development of matrix least squares and hypothesis testing. The effects of different experimental designs and different models on the variance-covariance matrix and on the analysis of variance (ANOVA) are extensively discussed. Applications and advanced topics (such as confidence bands, rotatability, and confounding) complete the text. Numerous worked examples are presented. The clear and practical approach adopted by the authors makes the book applicable to a wide audience. It will appeal particularly to those with a practical need (scientists, engineers, managers, research workers) who have completed their formal education but who still need to know efficient ways of carrying out experiments. It will also be an ideal text for advanced undergraduate and graduate students following courses in chemometrics, data acquisition and treatment, and design of experiments.
Author:
Publisher: Elsevier
ISBN: 0080551904
Category : Science
Languages : en
Pages : 887
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Book Description
Handbook of Chemometrics and Qualimetrics
Author: S.N. Deming
Publisher: Elsevier
ISBN: 0080868290
Category : Science
Languages : en
Pages : 501
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Book Description
Most chemists, whether they are biochemists, organic, analytical, pharmaceutical or clinical chemists and many pharmacists and biologists need to perform chemical analysis. Consequently, they are not only confronted with carrying out the actual analysis, but also with problems such as method selection, experimental design, optimization, calibration, data acquisition and handling, and statistics in order to obtain maximum relevant chemical information. In other words: they are confronted with chemometrics. This book on chemometrics, written by some of the leaders in the field, aims to provide a thorough, up-to-date introduction to this subject. The reader is given the opportunity to acquaint himself with the tools used in this discipline and the way in which they are applied. Some practical examples are given and the reader is shown how to select the appropriate tools in a given situation.As such the book provides the means to approach and solve analytical problems strategically and systematically, without the need for the reader to become a fully-fledged chemometrician. The authors' aim was to write a tutorial book which would be useful to readers at every level in this field.
Author: E.J. Karjalainen
Publisher: Elsevier
ISBN: 0080868339
Category : Science
Languages : en
Pages : 517
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Book Description
This book comprises a large selection of papers presented at the second European Scientific Computing and Automation meeting (SCA 90 (Europe)) which was held in June 1990 in Maastricht, The Netherlands. The increasing use of computers for making measurements, interpreting data, and filing results brings a new unity to science. SCA concentrates on common computer-based tools which are useful in several disciplines. Practical problems in laboratory automation, robotics and information management with LIMS are covered in depth. The process of designing and acquiring a LIMS is described and standards for data transfer between instruments, between LIMS and instruments and between different LIMS are discussed. The applications of statistics and expert systems are covered in several chapters. Strategies for drug design are discussed with various practical examples. Finally the display of scientific results as images and computer-based animations is demonstrated by several examples with their color illustrations. The book should be of interest to those managing R&D projects, doing research in laboratories, acquiring or planning LIMS, designing instruments and laboratory automation systems and those involved in data analysis of scientific results.
Author: Beata Walczak
Publisher: Elsevier
ISBN: 008054374X
Category : Science
Languages : en
Pages : 571
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Book Description
Wavelets seem to be the most efficient tool in signal denoising and compression. They can be used in an unlimited number of applications in all fields of chemistry where the instrumental signals are the source of information about the studied chemical systems or phenomena, and in all cases where these signals have to be archived. The quality of the instrumental signals determines the quality of answer to the basic analytical questions: how many components are in the studied systems, what are these components like and what are their concentrations? Efficient compression of the signal sets can drastically speed up further processing such as data visualization, modelling (calibration and pattern recognition) and library search. Exploration of the possible applications of wavelets in analytical chemistry has just started and this book will significantly speed up the process. The first part, concentrating on theoretical aspects, is written in a tutorial-like manner, with simple numerical examples. For the reader's convenience, all basic terms are explained in detail and all unique properties of wavelets are pinpointed and compared with the other types of basis function. The second part presents applications of wavelets from many branches of chemistry which will stimulate chemists to further exploration of this exciting subject.
Author: Rolf Carlson
Publisher: Elsevier
ISBN: 0080455271
Category : Science
Languages : en
Pages : 594
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Book Description
Revised, and updated Design and Optimization in Organic Synthesis presents strategies to explore experimental conditions and methodologies for systematic studies of entire reaction systems (substrates, reagent(s), catalyst(s), and solvents). Chemical phenomena are not usually the result of a single factor and this book describes how statistically designed methods can be used to analyse and evaluate synthetic procedures. The methodology is based on multivariate statistical techniques. The accompanying CD contains data tables and programmes. This book is essential reading for anyone working in process design and development in fine chemicals or the pharmaceutical industry, and is suitable for those with no experience in the field.* Contains recalculated models and redrawn figures, as well as new chapters on for example, the design of combinatorial libraries * Presents strategies to explore experimental conditions and methodologies* Enables the analysis and prediction of the best synthetic procedures
Author: I.E. Frank
Publisher: Elsevier
ISBN: 008086841X
Category : Education
Languages : en
Pages : 385
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Book Description
Analyzing observed or measured data is an important step in applied sciences. The recent increase in computer capacity has resulted in a revolution both in data collection and data analysis. An increasing number of scientists, researchers and students are venturing into statistical data analysis; hence the need for more guidance in this field, which was previously dominated mainly by statisticians.This handbook fills the gap in the range of textbooks on data analysis. Written in a dictionary format, it will serve as a comprehensive reference book in a rapidly growing field. However, this book is more structured than an ordinary dictionary, where each entry is a separate, self-contained entity. The authors provide not only definitions and short descriptions, but also offer an overview of the different topics. Therefore, the handbook can also be used as a companion to textbooks for undergraduate or graduate courses.1700 entries are given in alphabetical order grouped into 20 topics and each topic is organized in a hierarchical fashion. Additional specific entries on a topic can be easily found by following the cross-references in a top-down manner. Several figures and tables are provided to enhance the comprehension of the topics and a list of acronyms helps to locate the full terminologies. The bibliography offers suggestions for further reading.
Author: L.M.C. Buydens
Publisher: Elsevier
ISBN: 0080868401
Category : Science
Languages : en
Pages : 367
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Book Description
Various emerging techniques for automating intelligent functions in the laboratory are described in this book. Explanations on how systems work are given and possible application areas are suggested. The main part of the book is devoted to providing data which will enable the reader to develop and test his own systems. The emphasis is on expert systems; however, promising developments such as self-adaptive systems, neural networks and genetic algorithms are also described. The book has been written by chemists with a great deal of practical experience in developing and testing intelligent software, and therefore offers first-hand knowledge. Laboratory staff and managers confronted with commercial intelligent software will find information on the functioning, possibilities and limitations thereof, enabling them to select and use modern software in an optimum fashion. Finally, computer scientists and information scientists will find a wealth of data on the application of contemporary artificial intelligence techniques.
Author: Marcel Maeder
Publisher: Elsevier
ISBN: 0080548830
Category : Mathematics
Languages : en
Pages : 341
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Book Description
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
