Research Catalog

Genetic algorithms in molecular modeling

Title
Genetic algorithms in molecular modeling / edited by James Devillers.
Author
Devillers, James, 1956-
Publication
London ; San Diego, CA : Academic Press, [1996], ©1996.

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TextRequest in advance QA402.5 .D481 1996gOff-site

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Description
x, 327 pages, 4 unnumbered pages of plates : illustrations (some color); 23 cm.
Series Statement
Principles of QSAR and drug design ; 1
Uniform Title
Principles of QSAR and drug design ; 1.
Subject
  • Genetic algorithms
  • Evolutionary programming (Computer science)
  • Combinatorial optimization
  • Molecules > Models
  • QSAR (Biochemistry)
Bibliography (note)
  • Includes bibliographical references and index.
Contents
  • 1. Genetic Algorithms in Computer-Aided Molecular Design / J. Devillers -- 2. An Overview of Genetic Methods / B. T. Luke -- 3. Genetic Algorithms in Feature Selection / R. Leardi -- 4. Some Theory and Examples of Genetic Function Approximation with Comparison to Evolutionary Techniques / D. Rogers -- 5. Genetic Partial Least Squares in QSAR / W. J. Dunn and D. Rogers -- 6. Application of Genetic Algorithms to the General QSAR Problem and to Guiding Molecular Diversity Experiments / A. J. Hopfinger and H. C. Patel -- 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 -- 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 --
  • 9. Genetic Algorithms for Chemical Structure Handling and Molecular Recognition / G. Jones, P. Willett and R. C. Glen -- 10. Genetic Selection of Aromatic Substituents for Designing Test Series / C. Putavy, J. Devillers and D. Domine -- 11. Computer-Aided Molecular Design Using Neural Networks and Genetic Algorithms / V. Venkatsubramanian, A. Sundaram, K. Chan and J. M. Caruthers -- 12. Designing Biodegradable Molecules from the Combined Use of a Backpropagation Neural Network and a Genetic Algorithm / J. Devillers and C. Putavy.
ISBN
0122138104
OCLC
ocm35594269
Owning Institutions
Columbia University Libraries