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Genetic algorithms in molecular modeling

Author: James Devillers
Publisher: London ; San Diego : Academic Press, ©1996.
Series: Principles of QSAR and drug design, 1.
Edition/Format:   Print book : Conference publication : EnglishView all editions and formats
Database:WorldCat
Summary:

Deals with the use of genetic algorithms in molecular design. This volume enables the reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and  Read more...

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Genre/Form: Congresses
Material Type: Conference publication
Document Type: Book
All Authors / Contributors: James Devillers
ISBN: 9780122138102 0122138104
OCLC Number: 35594269
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.
Description: x, 327 pages : illustrations.
Contents: 1. Genetic algorithms in computer-aided molecular design --
2. An overview of genetic methods --
3. Genetic algorithms in feature selection --
4. Some theory and examples of genetic function approximation with comparison to evolutionary techniques --
5. Genetic partial least squares in QSAR --
6. Application of genetic algorithms to the general QSAR problem and to guiding molecular diversity experiments --
7. Prediction of the progesterone receptor binding of steroids using a combination of genetic algorithms and neural networks --
8. Genetically evolved receptor models (GERM): A procedure for construction of atomic-level receptor site models in the absence of a receptor crystal structure --
9. Genetic algorithms for chemical structure handling and molecular recognition --
10. Genetic selection of aromatic substituents for designing test series --
11. Computer-aided molecular design using neural networks and genetic algorithms --
12. Designing biodegradable molecules from the combined use of a backpropagation neural network and a genetic algorithm.
Series Title: Principles of QSAR and drug design, 1.
Responsibility: edited by James Devillers.

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"The series is a welcome addition to scattered literature on QSAR and drug design in over a dozen journals, and if judged by this first volume, the introduction of the series is timely. ...the book Read more...

 
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