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1 - Genetic Algorithms in Computer-Aided Molecular Design
J. Devillers
Pages 1-34 - Book chapterAbstract only
2 - An Overview of Genetic Methods
B.T. Luke
Pages 35-66 - Book chapterAbstract only
3 - Genetic Algorithms in Feature Selection
R. Leardi
Pages 67-86 - Book chapterAbstract only
4 - Some Theory and Examples of Genetic Function Approximation with Comparison to Evolutionary Techniques
D. Rogers
Pages 87-107 - Book chapterAbstract only
5 - Genetic Partial Least Squares in QSAR
W.J. DUNN° and D. ROGERS†
Pages 109-130 - Book chapterAbstract only
6 - Application of Genetic Algorithms to the General QSAR Problem and to Guiding Molecular Diversity Experiments
A.J. HOPFINGER and H.C. PATEL
Pages 131-157 - Book chapterAbstract only
7 - Prediction of the Progesterone Receptor Binding of Steroids using a Combination of Genetic Algorithms and Neural Networks
S.P. VAN HELDEN, H. HAMERSMA and V.J. VAN GEERESTEIN
Pages 159-192 - Book chapterAbstract only
8 - Genetically Evolved Receptor Models (GERM): A Procedure for Construction of Atomic-Level Receptor Site Models in the Absence of a Receptor Crystal Structure
D.E. WALTERS and T.D. MUHAMMAD
Pages 193-210 - Book chapterAbstract only
9 - Genetic Algorithms for Chemical Structure Handling and Molecular Recognition
G. JONES†, P. WILLETT† and R.C GLEN‡§
Pages 211-242 - Book chapterAbstract only
10 - Genetic Selection of Aromatic Substituents for Designing Test Series
C. PUTAVY, J. DEVILLERS and D. DOMINE
Pages 243-269 - Book chapterAbstract only
11 - Computer-Aided Molecular Design Using Neural Networks and Genetic Algorithms
V. VENKATASUBRAMANIAN, A. SUNDARAM, ... J.M. CARUTHERS
Pages 271-302 - Book chapterAbstract only
12 - Designing Biodegradable Molecules from the Combined Use of a Backpropagation Neural Network and a Genetic Algorithm
J. DEVILLERS and C. PUTAVY
Pages 303-314 - Book chapterNo access
Annexe
Pages 315-323 - Book chapterNo access
Index
Pages 325-327 - Book chapterNo access
Color Plates
Pages I-IV
About the book
Description
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.
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.
Key Features
- 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
- 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
Details
ISBN
978-0-12-213810-2
Language
English
Published
1996
Copyright
Copyright © 1996 Elsevier Ltd. All rights reserved
Imprint
Academic Press