Genetic and Evolutionary Algorithms

Jones G 1998. Genetic and Evolutionary Algorithms. In Schleyer, P v R, N L Allinger, T Clark, J Ga Steiger, P A Kollman, H F Schaefer III and P R Schreiner (Editors) The Encyclopedia oj Computational Chemistry. Chichester, John Wiley Sons. 

Heuristic Search / 10.5.2 Tabu Search / 10.5.3 Simulated Annealing / 10.5.4 Genetic and Evolutionary Algorithms /... 

Jones, G., Genetic and Evolutionary Algorithms, in Encyclopedia of Computational Chemistry, Schleyer, P.V.R., et al., Eds., John Wiley Sons, Chichester, UK, 1998, 1127. 

Pohlheim, H. Genetic and Evolutionary Algorithms Principles, Methods and Algorithms. Genetic and Evolutionary Toolbox (2003). http //www.geattb.com/ docu/algindex.html... 

Because of their stochastic nature, genetic and evolutionary algorithms do not offer a unique best solution but rather several good solutions, which are often of comparable quality. 

Also, reviews of the current state of the art in the application of evolutionary methods to problems of interest to computational chemists have been compiled. In this article, we provide an overview of GAs, how to develop and implement them, elaborating on conunon practices across applications. We also discuss two applications to problems of relevance to computational chemistry in some detail. The article attempts to provide the reader with a primer in GAs from an application point of view and pointers to areas in the literature for other extensions, when appropriate. This article is not meant to be a review. The reader interested in a comprehensive review of past and current research in GA applications, is referred to Genetic and Evolutionary Algorithms. 

Artificial Intelligence in Chemistry Chemometrics Multivariate View on Chemical Problems Combinatorial Chemistry Design of Compounds for Physical Methods Genetic and Evolutionary Algorithms Machine Learning Techniques in Chemistry Neural Networks in Chemistry Partial Least Squares Projections to Latent Structures (PLS) in Chemistry Protein Folding and Optimisation... 

Comparative Molecular Field Analysis (CoMFA) Conformational Flexibility in 3D Structure Searching Conformational Search Medium-sized Molecules Conformational Search Proteins Genetic and Evolutionary Algorithms Molecular Docking and Structure-based Design Shape Analysis Structural Similarity Measures for Database Searching Structure and Substructure Searching Structure Databases. 

See Chemometrics Multivariate View on Chemical Problems Genetic Algorithms Introduction and Applications and Genetic and Evolutionary Algorithms. 

---