Download or read book Machine Learning and Pattern Recognition Methods in Chemistry from Multivariate and Data Driven Modeling written by Jahan B. Ghasemi and published by Elsevier. This book was released on 2022-10-20 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Download or read book Hybrid Methods in Pattern Recognition written by Horst Bunke and published by World Scientific Publishing Company Incorporated. This book was released on 2002-01-01 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of pattern recognition has seen enormous progress since its beginnings almost 50 years ago. A large number of different approaches have been proposed. Hybrid methods aim at combining the advantages of different paradigms within a single system. Hybrid Methods in Pattern Recognition is a collection of articles describing recent progress in this emerging field. It covers topics such as the combination of neural nets with fuzzy systems or hidden Markov models, neural networks for the processing of symbolic data structures, hybrid methods in data mining, the combination of symbolic and subsymbolic learning, and so on. Also included is recent work on multiple classifier systems. Furthermore, the book deals with applications in on-line and off-line handwriting recognition, remotely sensed image interpretation, fingerprint identification, and automatic text categorization.

Download or read book Pattern Recognition in Chemistry written by Kurt Varmuza and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.

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.

Download or read book Environmental Health Perspectives written by and published by . This book was released on 2003 with total page 1490 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Journal of Research of the National Bureau of Standards written by United States. National Bureau of Standards and published by . This book was released on 1985 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Transform Techniques in Chemistry written by P. Griffiths and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 395 pages. Available in PDF, EPUB and Kindle. Book excerpt: The application of the Fourier transform is being seen to an increasing extent in all branches of chemistry, but it is in the area of chemical analysis that the greatest activity is taking place. Fourier transform infrared and nuclear magnetic resonance spectrometry are already routine methods for obtaining high-sensitivity IR and NMR spectra. Analogous methods are now being developed for mass spectrometry (Fourier transform ion cyclo tron resonance spectrometry) and microwave spectroscopy, and Fourier transform techniques have been successfully applied in several areas of electrochemistry. In addition the fast Fourier transform algorithm has been used for smoothing, interpolation, and more efficient storage of data, and has been studied as a potential method for more efficient identification of samples using pattern recognition techniques. Linear transforms have also been shown to be useful in analytical chemistry. Probably the most important of these is the Hadamard transform, which has been applied in alternative methods for obtaining IR and NMR data at high sensitivity. Even though measurements involving this algorithm will probably not be applied as universally as their Fourier transform ana logs, in the area of pattern recognition application of the Hadamard trans form will in all probability prove more important than application of the Fourier transform.

Download or read book Modern Physical Chemistry Engineering Models Materials and Methods with Applications written by Reza K. Haghi and published by CRC Press. This book was released on 2018-09-03 with total page 445 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together innovative research, new concepts, and novel developments in the application of new tools for chemical engineers. It presents significant research, reporting on new methodologies and important applications in the field of chemical engineering. Highlighting theoretical foundations, real-world cases, and future directions, this book covers selected topics in a variety of areas, including: chemoinformatics and computational chemistry advanced dielectric materials nanotechniques polymer composites It also presents several advanced case studies. The topics discussed in this volume will be valuable for researchers, practitioners, professionals, and students of chemistry material and chemical engineering.

Download or read book NIOSH Research and Demonstration Grants Fiscal Year written by and published by . This book was released on 1989 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Listing of the Institute's research grants program during fiscal year 1984 (oct. 1, 1983-Sept. 30, 1984). Arranged under 10 work related diseases and injuries. Entries give identifying and fiscal information, title, principal investigator, summary, and publications. Indexes of grant numbers, investigators, and grantee institutions.

Download or read book Statistical Methods for Pharmaceutical Research Planning written by S. W. Bergman and published by CRC Press. This book was released on 2020-10-29 with total page 273 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on statistical methods which impinge more or less directly on the decisions that are made during the course of pharmaceutical and agro-chemical research, considering the four decision-making areas.

Download or read book Computer Software Applications in Chemistry written by Peter C. Jurs and published by John Wiley & Sons. This book was released on 1996-02-02 with total page 306 pages. Available in PDF, EPUB and Kindle. Book excerpt: Intended specifically for practicing professionals and advanced students in chemistry and biochemistry, this invaluable book covers the full range of the computer applications in these fields, including numerical, nonnumerical, and graphics applications. New material includes multiple linear regression using MREG, principal-components analysis, Monte Carlo integration, parameterization of the force field, and molecular modeling software. Major areas covered include: * Error, Statistics, and the Floating-Point Number System * Curve Fitting * Multiple Linear Regression Analysis * Numerical Integration * Numerical Solution of Differential Equations * Matrix Methods and Linear Equation Systems * Random Numbers and Monte Carlo Simulation * Simplex Optimization * Chemical Structure Information Handling * Mathematical Graph Theory * Substructure Searching * Molecular Mechanics and Molecular Dynamics * Pattern Recognition * Artificial Intelligence and Expert Systems * Spectroscopic Library Searching and Structure Elucidation * Graphical Display of Data and of Molecules Whatever your area of research, this comprehensive, lucidly written book offers an indispensable resource of computer applications that will facilitate your work.

Download or read book Development assessment improvement and standardization of methods in herbal drug research written by Gunawan Indrayanto and published by Frontiers Media SA. This book was released on 2022-12-08 with total page 175 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Pattern Classification Using Ensemble Methods written by Lior Rokach and published by World Scientific. This book was released on 2010 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt: 1. Introduction to pattern classification. 1.1. Pattern classification. 1.2. Induction algorithms. 1.3. Rule induction. 1.4. Decision trees. 1.5. Bayesian methods. 1.6. Other induction methods -- 2. Introduction to ensemble learning. 2.1. Back to the roots. 2.2. The wisdom of crowds. 2.3. The bagging algorithm. 2.4. The boosting algorithm. 2.5. The AdaBoost algorithm. 2.6. No free lunch theorem and ensemble learning. 2.7. Bias-variance decomposition and ensemble learning. 2.8. Occam's razor and ensemble learning. 2.9. Classifier dependency. 2.10. Ensemble methods for advanced classification tasks -- 3. Ensemble classification. 3.1. Fusions methods. 3.2. Selecting classification. 3.3. Mixture of experts and meta learning -- 4. Ensemble diversity. 4.1. Overview. 4.2. Manipulating the inducer. 4.3. Manipulating the training samples. 4.4. Manipulating the target attribute representation. 4.5. Partitioning the search space. 4.6. Multi-inducers. 4.7. Measuring the diversity -- 5. Ensemble selection. 5.1. Ensemble selection. 5.2. Pre selection of the ensemble size. 5.3. Selection of the ensemble size while training. 5.4. Pruning - post selection of the ensemble size -- 6. Error correcting output codes. 6.1. Code-matrix decomposition of multiclass problems. 6.2. Type I - training an ensemble given a code-matrix. 6.3. Type II - adapting code-matrices to the multiclass problems -- 7. Evaluating ensembles of classifiers. 7.1. Generalization error. 7.2. Computational complexity. 7.3. Interpretability of the resulting ensemble. 7.4. Scalability to large datasets. 7.5. Robustness. 7.6. Stability. 7.7. Flexibility. 7.8. Usability. 7.9. Software availability. 7.10. Which ensemble method should be used?

Download or read book Chemometric Methods in Forensic Science written by Vishal Sharma and published by Royal Society of Chemistry. This book was released on 2023-12-20 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book fills a gap in the literature outlining how chemometric methods are applied to forensic casework, what limitations to these approaches exist, and future trends emerging in the field.

Download or read book Instrumental Methods for Quality Assurance in Foods written by Fung and published by Routledge. This book was released on 2017-11-01 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: Updated versions of papers delivered to a 1988 meeting of food technologists in Dallas, plus a few added chapters, survey the instruments and methodologies available for the instrumental analysis of chemical, physical, and microbiological aspects of food, especially in quality assurance and control

Download or read book Practical Applications of Quantitative Structure Activity Relationships QSAR in Environmental Chemistry and Toxicology written by W. Karcher and published by Springer Science & Business Media. This book was released on 1990-05-31 with total page 506 pages. Available in PDF, EPUB and Kindle. Book excerpt: Based on the Lectures given during the Eurocourse on `Practical Applications of Quantitative Structure-Activity (QSAR) in Environmental Chemistry and Toxicology' held at the Joint Research Centre Ispra, Italy, June 11--15, 1990

Download or read book Chemometric Approach to the Experiment Optimization and Data Evaluation in Analytical Chemistry written by Dr Antonije E. Onjia and published by Tehnološko-metalurški falkultet, Beograd, Institut za nuklearne nauke VINČA. This book was released on 2017-10-03 with total page 151 pages. Available in PDF, EPUB and Kindle. Book excerpt: