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Title Genetic algorithms in molecular modeling / edited by James Devillers
Published London ; San Diego : Academic Press, ©1996

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Description 1 online resource (x, 327 pages) : illustrations
Series Principles of QSAR and drug design ; 1
Principles of QSAR and drug design ; 1.
Contents Genetic Algorithms in Computer-Aided Molecular Design. An Overviewe of Genetic Methods. Genetic Algorithms in Feature Selection. Some Theory and Examples of Genetic Function Approximation with Comparision to Evolutionary Techniques. Genetic Partial Least Squares in QSAR. Application of Genetic Algorithms to the General QSAR Problem and to Guiding Molecular Diversity Experiments. Prediction of the Progesterone Receptor Binding of Steroids Using a Combination of Genetic Algorithms and Neural Networks. Genetically Evolved Receptor Models (GERM): A Procedure for Construction of Atomic-Level Receptor Site Models in the Absence of a Receptor Crystal Structure. Genetic Algorithms for Chemical Structure Handling and Molecular Recognition. Genetic Selection of Aromatic Substituents for Designing Test Series. Computer-Aided Molecular Design Using Nerual Networks and Genetic Algorithms. Designing Biodegradable Molecules from the Combined Use of a Backpropagation Neural Network and a Genetic Algorithm
Summary Genetic Algorithms in Molecular Modeling is the first book available on the use of genetic algorithms in molecular design. This volume marks the beginning of an ew series of books, Principles in Qsar and Drug Design, which will be an indispensible reference for students and professionals involved in medicinal chemistry, pharmacology, (eco)toxicology, and agrochemistry. Each comprehensive chapter is written by a distinguished researcher in the field. Through its up to the minute content, extensive bibliography, and essential information on software availability, this book leads the reader from the theoretical aspects to the practical applications. It enables the uninitiated reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and provides the trained scientist with the most up to date information on the topic. . Extremely topical and timely . Sets the foundations for the development of computer-aided tools for solving numerous problems in QSAR and drug design . Written to be accessible without prior direct experience in genetic algorithms
Notes "Second International Workshop on Neural Networks and Genetic Algorithms Applied to QSAR and Drug Design held in Lyon, France (June 12-14, 1995)"--Preface
Bibliography Includes bibliographical references and index
Notes Print version record
Subject Genetic algorithms.
Evolutionary programming (Computer science)
Combinatorial optimization.
Molecules -- Models.
QSAR (Biochemistry)
Drugs -- Design.
Computer-aided design.
Structure-activity relationships (Biochemistry)
Drug Design
Quantitative Structure-Activity Relationship
Algorithms
Computer-Aided Design
Models, Molecular
Structure-Activity Relationship
algorithms.
computer-aided designs (visual works)
computer-aided design (process)
MEDICAL -- Drug Guides.
MEDICAL -- Pharmacology.
MEDICAL -- Pharmacy.
MEDICAL -- Nursing -- Pharmacology.
Structure-activity relationships (Biochemistry)
Drugs -- Design
Computer-aided design
Combinatorial optimization
Evolutionary programming (Computer science)
Genetic algorithms
Molecules -- Models
QSAR (Biochemistry)
Geneesmiddelen.
Synthese (chemie)
Genetische algoritmen.
QSAR.
Molecular design.
Modellen.
Quimica farmaceutica.
Bioquimica.
Nucleo (citologia)
Genre/Form Electronic books
proceedings (reports)
Conference papers and proceedings
Conference papers and proceedings.
Actes de congrès.
Form Electronic book
Author Devillers, James, 1956-
International Workshop on Neural Networks and Genetic Algorithms Applied to QSAR and Drug Design (2nd : 1995 : Lyon, France)
ISBN 9780122138102
0122138104
9780080532387
0080532381
1281058998
9781281058997