Genetic Algorithms in Molecular Modeling

Genetic Algorithms in Molecular Modeling

by James Devillers, J. Devillers

Hardcover(New Edition)

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Product Details

ISBN-13: 9780122138102
Publisher: Elsevier Science
Publication date: 06/20/1996
Series: Principles of QSAR and Drug Design Series
Edition description: New Edition
Pages: 327
Product dimensions: 6.17(w) x 9.26(h) x 0.94(d)

About the Author

James Devillers is currently a Professor in Ecology, Zoology, Ecotoxicology, and Phytopathology at an Agricultural School of Graduate Engineers (ISARA) in Lyon, France,since 1983. Devillers is also a Professor in Environmental Chemistry at a Chemical School of Graduate Engineers (ICPI), and a Senior Lecturer in QSAR and Ecotoxicology for the Centre of Environmental Sciences (Metz), Private Institutes, and the EEC. He is also the President of the Centre de Traitement de l'Information Scientifique, which is a private company specializing in QSAR studies, drug design, statistical analysis, and data validation. Devillers has published many articles, six books, and is a member of various societies and institutions including: The International QSAR Society, the European Group for the QSAR Studies, the International Neural Network Society, the Institute of Electrical and Electronics Engineers (IEEE), the American Chemical Society (ACS), the Society of Environmental Toxicology and Chemistry (SETAC), the Societe d'Ecotoxicologie Fondamentale et Appliquee (SEFA), and the Societe Linneenne de Lyon (SLL). He is Editor-in-Chief of two journals: SAR and QSAR in Environmental Research (Gordon and Breach Science Publishers), and Toxicology Modeling (Carfax Publishing Company); as well as a series of books called Handbooks of Ecotoxicological Data (Gordon and Breach Science Publishers). Devillers is also a member of the editorial board of three journals, these are: Ecological Modelling (Elsevier), Xenobiotica (Taylor & Francis), and Journal of Biological Systems (World Scientific).

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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