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TitleGenetic algorithms in molecular modeling [electronic resource] / edited by James Devillers
Imprint London ; San Diego : Academic Press, c1996
Connect tohttp://www.sciencedirect.com/science/book/9780122138102
Descript x, 327 p. : ill

SUMMARY

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. . 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


CONTENT

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


Drug Design -- Congresses Algorithms -- Congresses Computer-Aided Design -- Congresses Models Molecular -- Congresses Structure-Activity Relationship -- Congresses Quimica farmaceutica Bioquimica Nucleo (citologia) Geneesmiddelen. Synthese (chemie) Genetische algoritmen. QSAR. Molecular design. Modellen. Genetic algorithms Evolutionary programming (Computer science) Combinatorial optimization Molecules -- Models QSAR (Biochemistry) Electronic books.



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