Computer Assisted Studies of Chemical Structure and Biological Function

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other books of interest from Wiley-lnterscience
SENSORY PROCESSING IN THE BRAIN
An Exercise in Neuroconnectlve Modeling Dean E. Wooidridge
Can the modeling of sensory perception be used to improve our understanding of how the brain works?This book is intended to be a step toward what may be described as the ultimate goal of neuroconnective brain modeling—the explanation of all aspects of thought and behavior in terms of the operation of a large number of interconnected neurons. It provides an exposition of generally applicable neuroconnective modeling techniques as well as a description of a particular scheme of sensory processing. The operation of components and circuits is explained in considerable detail and in ordinary language; and, definitions of special terms are indexed. 1979
CHEMICAL APPLICATIONS OF PATTERN RECOGNITION
Peter C. Jurs & Thomas L. Isenhour
A thorough examination of the application of pattern recognitions to chemical problems. Emphasizing the type of... Tovább

Fülszöveg

other books of interest from Wiley-lnterscience
SENSORY PROCESSING IN THE BRAIN
An Exercise in Neuroconnectlve Modeling Dean E. Wooidridge
Can the modeling of sensory perception be used to improve our understanding of how the brain works?This book is intended to be a step toward what may be described as the ultimate goal of neuroconnective brain modeling—the explanation of all aspects of thought and behavior in terms of the operation of a large number of interconnected neurons. It provides an exposition of generally applicable neuroconnective modeling techniques as well as a description of a particular scheme of sensory processing. The operation of components and circuits is explained in considerable detail and in ordinary language; and, definitions of special terms are indexed. 1979
CHEMICAL APPLICATIONS OF PATTERN RECOGNITION
Peter C. Jurs & Thomas L. Isenhour
A thorough examination of the application of pattern recognitions to chemical problems. Emphasizing the type of nonparametric pattern recognition known as "learning machines," the book discusses the overall pattern recognition system and briefly introduces each component, as well as describes the fundamentals of the notation used for binary pattern classifiers, the basic training method employed for their development, and the properties by which the usefulness of binary pattern classifiers can be measured.
1975
THEORY OF MODELLING AND SIMULATION
Bernard P. Zeigler
Demonstrates that modelling problems are fundamentally the same no matter where they occur—in natural, engineering, or management science—and may be solved with a common set of concepts'and tools. The book features a uniform treatment of models, including their description, construction and simplification, their applications, and their computer uses.
1976
WILEY-INTERSCIENCE
a division of JOHN WILEY & SONS 605 Third Avenue, New York, N.Y. 10016
New York • Chichester • Brisbane • Toronto ISBN 0 471 03896-2
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A complete understanding of the relation between chemical structure and biological activity is a much sought after goal. Such an understanding would result in our being able to design, at will, chemical agents possessing very desirable biological properties. Although such a level of sophistication is yet to be reached, there are approaches to the problem which can enhance our ability to produce specific types of compounds. This book details the most recent additions to these approaches. The book examines the use of pattern recognition techniques for the development of empirical rules which predict the effects of drugs, herbicides, pesticides, and other biologically active compounds. It fully discusses how to combine pattern recognition methods with chemical information handling methods to form an integrated chemical pattern recognition system. Beginning with an introduction of the techniques that have been developed for studying structure-activity relations, the book proceeds to cover the principles of pattern recognition and the applicability of these methods to a variety of chemical and biological research areas. It also describes methods of chemical structure information handling, chemical structure storage, and the use of these techniques for the computer generation of molecular structure descriptors. Subsequent discussion covers molecular mechanics and three-dimensional model building, linear discriminant functions, molecular structure investigation, the ADAPT {automatic data analysis using pattern recognition techniques) computer system, and the application of this system to studies of central nervous system agents, barbiturates, and olfactory stimulants. The originality of the book lies in its presentation of techniques that are applicable to dissimilarly structured compounds possessing similar biological activities. It will be of immense help to scientists and managers in synthesis and toxicology research/development in facilitating the production of compounds possessing a specific biological activity. It can also make the search for such compounds less costly. CONTENTS: Introduction. Pattern Recognition Principles. Chemical Structure Information Handling: Molecular Descriptor Development. Pattern Recognition: Linear Discriminant Func-(Contínue(Js>n back flap)


(Continued from front flap)
tions. A Software System to Implement Computer Assisted Structure-Activity Studies: Ttie ADAPT System. Drug Structure-Activity Relation Studies. Structure-Activity Studies of Olfactory Stimulants. Appendix. Index.
792
About the authors
ANDREW J. STUPER received his B.S. degree from the University of Wisconsin, Superior, and his Ph.D. degree in analytical chemistry from The Pennsylvania State University. He is a member of the American Chemical Society, Phi Kappa Phi, Sigma Xi, and the American Association for the Advancement of Science. Dr. Stuper is the author of several scholarly articles and papers and has served as a visiting scientist to the National Center for Toxicological Research and a consultant for Parke, Davis and Company. He is currently senior scientist at Rohm and Haas Company.
WILLIAM E. BRUGGER received his 8.A. degree from Mansfield State College and his Ph.D. degree in analytical chemistry from The Pennsylvania State University. He is a member of Sigma Xi, the American Association for the Advancement of Science, and the American Chemical Society. Dr. BrCig-ger is currently a research chemist at International Flavors and Fragrances —Research and Development. PETER C. JURS is Associate Professor of Chemistry at The Pennsylvania State University. Having received his B.S. degree in chemistry from Stanford University and his Ph.D. degree in chemistry from the University of Washington, Dr. Jurs is a member of Sigma Xi and Phi Lambda Upsilon societies as well as an active member of the American Chemical Society, the American Association for the Advancement of Science, the American Society for Mass Spectrometry, the Society for Applied Spectroscopy, the Pattern Recognition Society, and the European Chemo-reception organization. He is also a consultant to several pharmaceutical companies, government laboratories, and industrial companies.
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