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Author: Neil A. B. Gray Publisher: Wiley-Interscience ISBN: Category : Science Languages : en Pages : 568
Book Description
Drawing on a wide range of recent research, this book introduces the most important new algorithms for solving problems in structural chemistry. It is a review of problems related to the representation and manipulation of chemical data, illustrated with various approaches to their solutions.
Author: Neil A. B. Gray Publisher: Wiley-Interscience ISBN: Category : Science Languages : en Pages : 568
Book Description
Drawing on a wide range of recent research, this book introduces the most important new algorithms for solving problems in structural chemistry. It is a review of problems related to the representation and manipulation of chemical data, illustrated with various approaches to their solutions.
Author: Bonnie Lynn Webber Publisher: Morgan Kaufmann ISBN: 1483214400 Category : Computers Languages : en Pages : 558
Book Description
Readings in Artificial Intelligence focuses on the principles, methodologies, advancements, and approaches involved in artificial intelligence. The selection first elaborates on representations of problems of reasoning about actions, a problem similarity approach to devising heuristics, and optimal search strategies for speech understanding control. Discussions focus on comparison with existing speech understanding systems, empirical comparisons of the different strategies, analysis of distance function approximation, problem similarity, problems of reasoning about action, search for solution in the reduction system, and relationship between the initial search space and the higher level search space. The book then examines consistency in networks of relations, non-resolution theorem proving, using rewriting rules for connection graphs to prove theorems, and closed world data bases. The manuscript tackles a truth maintenance system, elements of a plan-based theory of speech acts, and reasoning about knowledge and action. Topics include problems in reasoning about knowledge, integration knowledge and action, models of plans, compositional adequacy, truth maintenance mechanisms, dialectical arguments, and assumptions and the problem of control. The selection is a valuable reference for researchers wanting to explore the field of artificial intelligence.
Author: Georgios Paliouras Publisher: Springer ISBN: 3540446737 Category : Computers Languages : en Pages : 334
Book Description
In recent years machine learning has made its way from artificial intelligence into areas of administration, commerce, and industry. Data mining is perhaps the most widely known demonstration of this migration, complemented by less publicized applications of machine learning like adaptive systems in industry, financial prediction, medical diagnosis and the construction of user profiles for Web browsers. This book presents the capabilities of machine learning methods and ideas on how these methods could be used to solve real-world problems. The first ten chapters assess the current state of the art of machine learning, from symbolic concept learning and conceptual clustering to case-based reasoning, neural networks, and genetic algorithms. The second part introduces the reader to innovative applications of ML techniques in fields such as data mining, knowledge discovery, human language technology, user modeling, data analysis, discovery science, agent technology, finance, etc.
Author: A.L. Horvath Publisher: Elsevier Health Sciences ISBN: Category : Science Languages : en Pages : 1510
Book Description
This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new compounds. The five chapters deal with such areas as structure and properties of organic compounds, relationships between structure and properties, and models for structure generation. The subject is covered in sufficient depth to provide readers with the necessary background to understand the modeling techniques. The book will be of value to chemists in industries involved in the manufacture of organic chemicals such as solvents refrigerants, blood substitutes, etc. It also serves as a reference work for researchers, academics, consultants, and students interested in molecular design.
Author: Godfrey Smart Publisher: Information Today ISBN: Category : Computers Languages : en Pages : 376
Book Description
This directory describes the current state-of-the-art and capabilities of expert systems technology, by giving a brief description of every expert system about which details have been published in English. This directory is a survey of those expert systems designed or developed so far for real world domains.
Author: Antony Williams Publisher: Royal Society of Chemistry ISBN: 1849733937 Category : Science Languages : en Pages : 532
Book Description
The Ghanian plant Cryptolepis sanguinolenta is the source of a series of fascinating indoloquinoline alkaloids. The most unusual member of this alkaloid series was initially proposed to be a spiro nonacyclic structure, named cryptospirolepine, and was elucidated in 1993 based on the technologies available at that time. There were, however, several annoying attributes to the structure that bothered analysts for the ensuing 22 years. During the two decades that followed the initial work there have been enormous developments in NMR technology. Using new experimental approaches, specifically homodecoupled 1,1- and 1,n-HD-ADEQUATE NMR experiments developed in 2014, the structure of only a 700 µg sample of cryptospirolepine has been revised and is shown on the cover of this volume. The confluence of the NMR technological and methodological advances that allowed the revision of the structure of cryptospirolepine using a submilligram sample seems a fitting example for this book, which is dedicated to the NMR characterization of various classes of natural products. Volume 2 considers data processing and algorithmic based analyses tailored to natural product structure elucidation and reviews the application of NMR to the analysis of a series of different natural product families including marine natural products, terpenes, steroids, alkaloids and carbohydrates. Volume 1 discusses contemporary NMR approaches including optimized and future hardware and experimental approaches to obtain both the highest quality and most appropriate spectral data for analysis. These books, bringing together acknowledged experts, uniquely focus on the combination of experimental approaches and modern hardware and software applied to the structure elucidation of natural products. The volumes will be an essential resource for NMR spectroscopists, natural product chemists and industrial researchers working on natural product analysis or the characterization of impurities and degradation products of pharmaceuticals that can be as scarce as natural product samples.
Author: Z. Hippe Publisher: Elsevier ISBN: 1483291677 Category : Computers Languages : en Pages : 292
Book Description
This comprehensive overview of the application of artificial intelligence methods (AI) in chemistry contains an in-depth summary of the most interesting achievements of modern AI, namely, problem-solving in molecular structure elucidation and in syntheses design. The book provides a brief history of AI as a branch of computer science. It also gives an overview of the basic methods employed for searching the solution space (thoroughly exemplified by chemical problems), together with a profound and expert discussion on many questions that may be raised by modern chemists wishing to apply computer-assisted methods in their own research. Moreover, it includes a survey of the most important literature references, covering all essential research in automated interpretation of molecular spectra to elucidate a structure and in syntheses design. A glossary of basic terms from computer technology for chemists is appended. This book is intended to make the emerging field of artificial intelligence understandable and accessible for chemists, who are not trained in computer methods for solving chemical problems. The author discusses step-by-step basic algorithms for structure elucidation and many aspects of the automated design of organic syntheses in order to integrate this fascinating technology into current chemical knowledge.
Author: Frank Jensen Publisher: John Wiley & Sons ISBN: 1118825950 Category : Science Languages : en Pages : 1056
Book Description
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
Author: Neil A. B. Gray
Author: Neil A. B. Gray
Author: Bonnie Lynn Webber
Author: Georgios Paliouras
Author: 
Author: A.L. Horvath
Author: Godfrey Smart
Author: Antony Williams
Author: Z. Hippe
Author: Frank Jensen
Author: Robert K. Lindsay