Genetic Algorithms in Molecular Modeling is the first book available on the use of genetic algorithms in molecular design. This volume marks the beginning of an ew series of books, Principles in Qsar and Drug Design, which will be an indispensible reference for students and professionals involved in medicinal chemistry, pharmacology, (eco)toxicology, and agrochemistry. Each comprehensive chapter is written by a distinguished researcher in the field. Through its up to the minute content, extensive bibliography, and essential information on software availability, this book leads the reader from the theoretical aspects to the practical applications. It enables the uninitiated reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and provides the trained scientist with the most up to date information on the topic. . Extremely topical and timely . Sets the foundations for the development of computer-aided tools for solving numerous problems in QSAR and drug design . Written to be accessible without prior direct experience in genetic algorithms
-From Reviews of the Series ... An Excellent Source of Background Information as well as of Current Research Studies in Computational Chemistry. Journal of Medicinal Chemistry
Artificial neural networks (ANNs) and genetic programming (GP) have already emerged as two very effective computing strategies for constructing data-driven models for systems of scientific and engineering interest.
Focusing on validation methods, search algorithms, and scoring functions, this book is a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.
[19] R. Wehrens, E. Pretsch, L. M. C. Buydens, The Quality of Optimization by Genetic Algorithms, Anal. ... [28] H. Ogata, Y. Akiyama, M. Kanehisa, A Genetic Algorithm-based Molecular Modeling Technique for RNA Stem-Loop Structures, ...
Comprehensive and impeccably edited, Neural Networks in QSAR and Drug Design is the first book to present an all-inclusive coverage of the topic.
This book contains contributions from experts in the field is divided in two sections (GA and ANN). In each part, tutorial chapters are included in which the theoretical bases of each technique are expertly (but simply) described.
5 from unit : 1 2 3 4 5 to unit : 1 000 00 2 0 0 0 0 0 3 LLOOO 4 L L 0 0 0 5 0 0 L L 0 3 4 1 2 chromosome : 0000000000110001100000110 Figure 2.21 An illustration of Miller , Todd , and Hegde's representation scheme .
REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by experts in various fields of computational chemistry.
Computer-assisted techniques are well-integrated in modern drug discovery and used for the finding of new leads, the optimization of receptor or enzyme affinity, as well as of pharmacokinetic and physicochemical...
Covering numerous topics in modeling nucleic acids, this volume looks at the role of various spectroscopic methods, simulations of molecular dynamics using particle mesh methods, and dynamic and genetic algorithms...