Cover for Genetic Algorithms in Molecular Modeling

Genetic Algorithms in Molecular Modeling

A volume in Principles of QSAR and Drug Design

Book1996

Edited by:

James Devillers

Genetic Algorithms in Molecular Modeling

A volume in Principles of QSAR and Drug Design

Book1996

 

Cover for Genetic Algorithms in Molecular Modeling

Edited by:

James Devillers

About the book

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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, ... read full description

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  2. Book chapterAbstract only

    1 - Genetic Algorithms in Computer-Aided Molecular Design

    J. Devillers

    Pages 1-34

  3. Book chapterAbstract only

    2 - An Overview of Genetic Methods

    B.T. Luke

    Pages 35-66

  4. Book chapterAbstract only

    3 - Genetic Algorithms in Feature Selection

    R. Leardi

    Pages 67-86

  5. Book chapterAbstract only

    4 - Some Theory and Examples of Genetic Function Approximation with Comparison to Evolutionary Techniques

    D. Rogers

    Pages 87-107

  6. Book chapterAbstract only

    5 - Genetic Partial Least Squares in QSAR

    W.J. DUNN° and D. ROGERS†

    Pages 109-130

  7. 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

  8. 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

  9. 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

  10. Book chapterAbstract only

    9 - Genetic Algorithms for Chemical Structure Handling and Molecular Recognition

    G. JONES†, P. WILLETT† and R.C GLEN‡§

    Pages 211-242

  11. Book chapterAbstract only

    10 - Genetic Selection of Aromatic Substituents for Designing Test Series

    C. PUTAVY, J. DEVILLERS and D. DOMINE

    Pages 243-269

  12. Book chapterAbstract only

    11 - Computer-Aided Molecular Design Using Neural Networks and Genetic Algorithms

    V. VENKATASUBRAMANIAN, A. SUNDARAM, ... J.M. CARUTHERS

    Pages 271-302

  13. 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

  14. Book chapterNo access

    Annexe

    Pages 315-323

  15. Book chapterNo access

    Index

    Pages 325-327

  16. 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

Editors

James Devillers

CTIS, Lyon, France