Applications Of Evolutionary Computation In Chemistry

H. M. Cartwright: An Introduction to Evolutionary Computation andEvolutionary Algorithms; B. Hartke: Application of Evolutionary Algorithms to Global Cluster Geometry Optimization; K.D.M. Harris, R.L. Johnston, S. Habershon: Application of Evolutionary Computation in Structure Solution from Diffraction Data; S. M.

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 programs designed to search for optimal solutions to many kinds of problems. These 'evolutionary algorithms' start from a population of possible solutions to a given problem and, by applying evolutionary principles, evolve successive generations with improved characteristics until an optimal, or near-optimal, solution is obtained. This book highlights the versatility of evolutionary algorithms in areas of relevance to molecular design with a particular focus on drug design. The authors, all of whom are experts in their field, discuss the application of these computational methods to a wide range of research problems including conformational analysis, chemometrics and quantitative structure-activity relationships, de novo molecular design, chemical structure handling, combinatorial library design, and the study of protein folding. In addition, the use of evolutionary algorithms in the determination of structures by X-ray crystallography and NMR spectroscopy is also covered. These state-of-the-art reviews, together with a discussion of new techniques and future developments in the field, make this book a truly valuable and highly up-to-date resource for anyone engaged in the application or development of computer-assisted methods in scientific research.

Edited by professionals with years of experience, this book provides an introduction to the theory of evolutionary algorithms and single- and multi-objective optimization, and then goes on to discuss to explore applications of evolutionary algorithms for many uses with real-world applications. Covering both the theory and applications of evolutionary computation, the book offers exhaustive coverage of several topics on nontraditional evolutionary techniques, details working principles of new and popular evolutionary algorithms, and discusses case studies on both scientific and real-world applications of optimization

This book constitutes the refereed joint proceedings of eight European workshops on the Theory and Applications of Evolutionary Computation, EvoWorkshops 2008, held in Naples, Italy, in March 2008 within the scope of the EvoStar 2008 event. The 57 revised full papers and 18 revised short papers presented were carefully reviewed and selected from a total of 133 submissions. In accordance with the eight workshops covered, the papers are organized in topical sections on application of nature-inspired techniques to telecommunication networks and other connected systems, evolutionary computation in finance and economics, bio-inspired heuristics for design automation, evolutionary computation in image analysis and signal processing, evolutionary and biologically inspired music, sound, art and design, bio-inspired algorithms for continuous parameter optimization, evolutionary algorithms in stochastic and dynamic environments, theory and applications of evolutionary computation, and on evolutionary computation in transportation and logistics.

This book constitutes the refereed proceedings of three workshops on the application of evolutionary programming and algorithms in various domains; these workshops were held in conjunction with the 5th European Conference on Genetic Programming, EuroGP 2002, in Kinsale, Ireland, in April 2002. The 33 revised full papers presented were carefully reviewed and selected by the respective program committees. In accordance with the three workshops EvoCOP, EvoIASP, and EvoSTIM/EvoPLAN, the papers are organized in topical sections on combinatorial optimization problems; image analysis and signal processing; and scheduling, timetabling, and AI planning.

This eBook is dedicated to Prof. William L. Hase, who passed away on Monday, March 23, 2020.

Evolutionary computation (EC) techniques are e?cient nature-inspired pl- ning and optimization methods based on the principles of natural evolution and genetics. Due to their e?ciency and the simple underlying principles, these methods can be used for a large number of problems in the context of problem solving,optimization,andmachinelearning. Alargeandcontinuouslyincreasing number of researchers and practitioners make use of EC techniques in many - plication domains. The book at hand presents a careful selection of relevant EC applications combined with thorough examinations of techniques for a successful application of EC. The presented papers illustrate the current state of the art in the application of EC and should help and inspire researchers and practitioners to develop e?cient EC methods for design and problem solving. All papers in this book were presented during EvoWorkshops 2005, which was a varying collection of workshops on application-oriented aspects of EC. Since 1999, the format of the EvoWorkshops has proved to be very successful and well representative of the advances in the application of EC. Consequently, over the last few years, EvoWorkshops has become one of the major events addressing the application of EC. In contrast to other large conferences in the EC ?eld, the EvoWorkshops focus solely on application aspects of EC and are an important link between EC research and the application of EC in a large variety of di?erent domains.