Evolutionary Algorithms in Molecular Design (Methods and Principles in Medicinal Chemistry)

Clark, D.E. (Ed.)

ISBN 10: 3527301550 / ISBN 13: 9783527301553

Published by Wiley VCH, 2000

About this Item

This is an ex-library book and may have the usual library/used-book markings inside.This book has hardback covers. In good all round condition. Please note the Image in this listing is a stock photo and may not match the covers of the actual item,750grams, ISBN:9783527301553.

Seller Inventory # 7437750

Bibliographic Details

• Title: Evolutionary Algorithms in Molecular Design (Methods and Principles in Medicinal Chemistry)
• Publisher: Wiley VCH
• Publication Date: 2000
• Language: English
• ISBN 10: 3527301550
• ISBN 13: 9783527301553
• Binding: Hardcover
• Condition: Good
• Weight: 750 grams
• Seller catalogs:
  • Science & Technology

About this title

Synopsis

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.

Review

"As any good book should, this one starts the mind working and asking questions" (Chromatographia, November 2001)