Genetic Algorithms in Molecular Modeling
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.
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Chapter 2 An Overview of Genetic Methods
Chapter 3 Genetic Algorithms in Feature Selection
Chapter 4 Some Theory and Examples of Genetic Function Approximation with Comparison to Evolutionary Techniques
Chapter 5 Genetic Partial Least Squares in QSAR
Chapter 6 Application of Genetic Algorithms to the General QSAR Problem and to Guiding Molecular Diversity Experiments
Chapter 7 Prediction of the Progesterone Receptor Binding of Steroids Using a Combination of Genetic Algorithms and Neural Networks
A Procedure for Construction of AtomicLevel Receptor Site Models in the Absence of a Receptor Crystal Structure
Chapter 9 Genetic Algorithms for Chemical Structure Handling an d Molecular Recognition
Chapter 10 Genetic Selection of Aromatic Substituents for Designing Test Series
Chapter 11 ComputerAided Molecular Design Using Neural Networks and Genetic Algorithms
Chapter 12 Designing Biodegradable Molecules from the Combined Us e of a Backpropagation Neural Network and a Genetic Algorithm
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