Evolutionary algorithms in molecular design /

When trying to find new methods and problem-solving strategies for their research, scientists often turn to nature for inspiration. An excellent example of this is the application of Darwin's Theory of Evolution, particularly the notion of the 'survival of the fittest', in computer pr...

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Bibliographic Details
Other Authors:	Clark, David E., 1966-
Format:	eBook
Language:	English
Language Notes:	English.
Published:	Weinheim ; New York : Wiley-VCH, ©2000.
Series:	Methods and principles in medicinal chemistry ; v. 8.
Subjects:	Genetic algorithms. Drugs > Design and construction. Molecules > Models > Design and construction. Evolutionary programming (Computer science) Drugs > Design. Computer algorithms. Algorithms. Computer-aided design. Molecular evolution. Drugs > Design > Mathematical models. Evolutionary computation. Drug Design Algorithms Computer-Aided Design Evolution, Molecular Electronic books.
Online Access:	Connect to the full text of this electronic book

Table of Contents:

Evolutionary Algorithms in Molecular Design; Contents; 1 Introduction to Evolutionary Algorithms; 2 Small-molecule Geometry Optimization and Conformational Search; 3 Protein-Ligand Docking; 4 De Now Molecular Design; 5 Quantitative Structure- Activity Relationships; 6 Chemometrics; 7 Chemical Structure Handling; 8 Molecular Diversity Analysis and Combmatorial Library Design; 9 Evolutionary Algorithms in Crystallographic Applications; 10 Structure Determination by NMR Spectroscopy; 11 Protein Folding; 12 New Techniques and Future Directions.