Evolutionary Algorithms in Molecular Design
1st Edition
Published on 25. August 2000
Book
Hardback
288 pages
978-3-527-30155-3 (ISBN)
Description
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.
Reviews / Votes
"As any good book should, this one starts the mind working and asking questions (Chromatographia, November 2001)More details
Series
Edition
1., Aufl.
Language
English
Place of publication
Weinheim
Germany
Target group
College/higher education
Professional and scholarly
Chemiker, Medizinische Chemiker, Physikochemiker, Biochemiker, Chemiker in der Industrie
Illustrations
57 s/w Abbildungen, 10 s/w Tabellen
Illustrations
Dimensions
Height: 24.5 cm
Width: 18 cm
Weight
702 gr
ISBN-13
978-3-527-30155-3 (9783527301553)
Schweitzer Classification
Other editions
Additional editions
David E. Clark
Evolutionary Algorithms in Molecular Design
E-Book
11/2008
1st Edition
Wiley-VCH
€133.99
Available for download
Content
Introduction to Evolutionary Algorithms (A. Parrill). Small--molecule Geometry Optimization and Conformational Search (R. Wehrens). Protein--Ligand Docking (G. Morris, et al.). De Novo Molecular Design (V. Gillet). Quantitative Structure--Activity Relationships (S.--S. So). Chemometrics (R. Wehrens & L. Buydens). Chemical Structure Handling (P. Willett). Molecular Diversity Analysis and Combinatorial Library Design (L. Weber). Evolutionary Algorithms in Crystallographic Applications (K. Harris, et al.). Structure Determination by NMR Spectroscopy (B. Sanctuary). Protein Folding (J. Pedersen). New Techniques and Future Directions (A. Tuson & D. Clark). Appendix. Index.