Pattern Recognition In Chemistry

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Pattern Recognition In Chemistry
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Author : Kurt Varmuza
language : en
Publisher: Springer
Release Date : 1980
Pattern Recognition In Chemistry written by Kurt Varmuza and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1980 with Analytical chemistry categories.
Pattern Recognition In Chemistry
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Author : Kurt Varmuza
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Pattern Recognition In Chemistry written by Kurt Varmuza and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Analytical chemistry of the recent years is strongly influenced by automation. Data acquisition from analytica~ instruments - and some times also controlling of instruments - by a computer are principally solved since many years. Availability of microcomputers made these tasks also feasible from the economic point of view. Besides these basic applications of computers in chemical measurements scientists developed computer programs for solving more sophisticated problems for which some kind of "intelligence" is usually supposed to be necessary. Harm less numerical experiments on this topic led to passionate discussions about the theme "which jobs cannot be done by a computer but only by human brain ?~. If this question is useful at all it should not be ans wered a priori. Application of computers in chemistry is a matter of utility, sometimes it is a social problem, but it is never a question of piety for the human brain. Automated instruments and the necessity to work on complex pro blems enhanced the development of automatic methods for the reduction and interpretation of large data sets. Numerous methods from mathematics, statistics, information theory, and computer science have been exten sively investigated for the elucidation of chemical information; a new discipline "chemometrics" has been established. Three different approaches have been used for computer-assisted interpretations of chemical data. 1. Heuristic methods try to formu late computer programs working in a similar way as a chemist would solve the problem. 2.
Chemometrics For Pattern Recognition
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Author : Richard G. Brereton
language : en
Publisher: John Wiley & Sons
Release Date : 2009-06-29
Chemometrics For Pattern Recognition written by Richard G. Brereton and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-06-29 with Science categories.
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.
Machine Learning And Pattern Recognition Methods In Chemistry From Multivariate And Data Driven Modeling
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Author : Jahan B. Ghasemi
language : en
Publisher: Elsevier
Release Date : 2022-10-20
Machine Learning And Pattern Recognition Methods In Chemistry From Multivariate And Data Driven Modeling written by Jahan B. Ghasemi and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-10-20 with Science categories.
Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling outlines key knowledge in this area, combining critical introductory approaches with the latest advanced techniques. Beginning with an introduction of univariate and multivariate statistical analysis, the book then explores multivariate calibration and validation methods. Soft modeling in chemical data analysis, hyperspectral data analysis, and autoencoder applications in analytical chemistry are then discussed, providing useful examples of the techniques in chemistry applications. Drawing on the knowledge of a global team of researchers, this book will be a helpful guide for chemists interested in developing their skills in multivariate data and error analysis. - Provides an introductory overview of statistical methods for the analysis and interpretation of chemical data - Discusses the use of machine learning for recognizing patterns in multidimensional chemical data - Identifies common sources of multivariate errors
Syntactic And Structural Pattern Recognition
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Author : Horst Bunke
language : en
Publisher: World Scientific
Release Date : 1990
Syntactic And Structural Pattern Recognition written by Horst Bunke and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990 with Computers categories.
This book is currently the only one on this subject containing both introductory material and advanced recent research results. It presents, at one end, fundamental concepts and notations developed in syntactic and structural pattern recognition and at the other, reports on the current state of the art with respect to both methodology and applications. In particular, it includes artificial intelligence related techniques, which are likely to become very important in future pattern recognition.The book consists of individual chapters written by different authors. The chapters are grouped into broader subject areas like “Syntactic Representation and Parsing”, “Structural Representation and Matching”, “Learning”, etc. Each chapter is a self-contained presentation of one particular topic. In order to keep the original flavor of each contribution, no efforts were undertaken to unify the different chapters with respect to notation. Naturally, the self-containedness of the individual chapters results in some redundancy. However, we believe that this handicap is compensated by the fact that each contribution can be read individually without prior study of the preceding chapters. A unification of the spectrum of material covered by the individual chapters is provided by the subject and author index included at the end of the book.
Applied Chemoinformatics
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Author : Thomas Engel
language : en
Publisher: John Wiley & Sons
Release Date : 2018-04-19
Applied Chemoinformatics written by Thomas Engel and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-04-19 with Science categories.
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.
Chemical Pattern Recognition
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Author : Oldřich Štrouf
language : en
Publisher: Wiley-Blackwell
Release Date : 1986
Chemical Pattern Recognition written by Oldřich Štrouf and has been published by Wiley-Blackwell this book supported file pdf, txt, epub, kindle and other format this book has been release on 1986 with Science categories.
Statistical Pattern Recognition
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Author : Andrew R. Webb
language : en
Publisher: John Wiley & Sons
Release Date : 2003-07-25
Statistical Pattern Recognition written by Andrew R. Webb and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-07-25 with Mathematics categories.
Statistical pattern recognition is a very active area of study andresearch, which has seen many advances in recent years. New andemerging applications - such as data mining, web searching,multimedia data retrieval, face recognition, and cursivehandwriting recognition - require robust and efficient patternrecognition techniques. Statistical decision making and estimationare regarded as fundamental to the study of pattern recognition. Statistical Pattern Recognition, Second Edition has been fullyupdated with new methods, applications and references. It providesa comprehensive introduction to this vibrant area - with materialdrawn from engineering, statistics, computer science and the socialsciences - and covers many application areas, such as databasedesign, artificial neural networks, and decision supportsystems. * Provides a self-contained introduction to statistical patternrecognition. * Each technique described is illustrated by real examples. * Covers Bayesian methods, neural networks, support vectormachines, and unsupervised classification. * Each section concludes with a description of the applicationsthat have been addressed and with further developments of thetheory. * Includes background material on dissimilarity, parameterestimation, data, linear algebra and probability. * Features a variety of exercises, from 'open-book' questions tomore lengthy projects. The book is aimed primarily at senior undergraduate and graduatestudents studying statistical pattern recognition, patternprocessing, neural networks, and data mining, in both statisticsand engineering departments. It is also an excellent source ofreference for technical professionals working in advancedinformation development environments. For further information on the techniques and applicationsdiscussed in this book please visit ahref="http://www.statistical-pattern-recognition.net/"www.statistical-pattern-recognition.net/a
Introduction To Multivariate Statistical Analysis In Chemometrics
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Author : Kurt Varmuza
language : en
Publisher: CRC Press
Release Date : 2016-04-19
Introduction To Multivariate Statistical Analysis In Chemometrics written by Kurt Varmuza and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-19 with Mathematics categories.
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
Pattern Recognition
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Author : Sergios Theodoridis
language : en
Publisher: Elsevier
Release Date : 2003-05-15
Pattern Recognition written by Sergios Theodoridis and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-05-15 with Technology & Engineering categories.
Pattern recognition is a scientific discipline that is becoming increasingly important in the age of automation and information handling and retrieval. Patter Recognition, 2e covers the entire spectrum of pattern recognition applications, from image analysis to speech recognition and communications. This book presents cutting-edge material on neural networks, - a set of linked microprocessors that can form associations and uses pattern recognition to "learn" -and enhances student motivation by approaching pattern recognition from the designer's point of view. A direct result of more than 10 years of teaching experience, the text was developed by the authors through use in their own classrooms.*Approaches pattern recognition from the designer's point of view*New edition highlights latest developments in this growing field, including independent components and support vector machines, not available elsewhere*Supplemented by computer examples selected from applications of interest