Genetic algorithms in molecular modeling /

Genetic algorithms in molecular modeling /

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Bibliographic Details
Imprint:London ; San Diego : Academic Press, ©1996.
Description:1 online resource (x, 327 pages) : illustrations.
Language:English
Series:Principles of QSAR and drug design ; 1
Principles of QSAR and drug design ; 1.
Subject:
Genetic algorithms.
Evolutionary programming (Computer science)
Combinatorial optimization.
Molecules -- Models.
QSAR (Biochemistry)
Combinatorial optimization.
Evolutionary programming (Computer science)
Genetic algorithms.
Molecules -- Models.
QSAR (Biochemistry)
Drug Design -- Congresses.
Algorithms -- Congresses.
Computer-Aided Design -- Congresses.
Models, Molecular -- Congresses.
Structure-Activity Relationship -- Congresses.
Congress.
Electronic books.
Format: E-Resource Book
URL for this record:http://pi.lib.uchicago.edu/1001/cat/bib/11153590
Hidden Bibliographic Details
Other authors / contributors: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
Digital file characteristics:data file
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.
Includes bibliographical references and index.
Print version record.
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.
Other form:Print version: Genetic algorithms in molecular modeling. London ; San Diego : Academic Press, ©1996 0122138104 9780122138102
Table of 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

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