Computer-Assisted Lead Finding and Optimization: Current Tools for Medicinal Chemistry - Hardcover

European Symposium On Quantitative Structure-Activity Relationships 19

Hardcover

ISBN 10: 3906390160 ISBN 13: 9783906390161

Publisher: Vch Verlagsgesellschaft Mbh, 1997

Synopsis

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 properties.

In this book an account is found of current strategies used in computer-assisted drug design. Important topics include progress in chemometrics, molecular modeling and three-dimensional QSAR approaches. Relatively new mathematical methods such as genetic algorithms or artificial neural networks and fuzzy logic have found their application in rational molecular design. As is amply illustrated, based on recent developments in these disciplines, important progress has been made in lead finding strategies. This is of great importance to the pharmaceutical industry.

Thus, all scientists investigating quantitative structure-activity relationships in their broadest sense, in medicinal, agricultural, or environmental chemistry will benefit from this book.

About this title

From the Publisher

Computer-assisted techniques are well-integrated in modern drug discovery and are used for finding new leads and optimizing receptor or enzyme affinity as well as pharmacokinetic and physicochemical properties. This book describes the current strategies used in computer-assisted drug design. It discusses such important topics as progress in chemometrics, molecular modeling and three-dimensional QSAR approaches. It also describes the relatively new mathematical methods such as genetic algorithms or artificial neural networks and fuzzy logic that have found their application in rational molecular design.

Edition details

• Publisher: Vch Verlagsgesellschaft Mbh
• Publication date: 1997
• Language: English
• ISBN 10: 3906390160
• ISBN 13: 9783906390161
• Binding: Hardcover
• Edition number: 1
• Number of pages: 566
• Editor: Waterbeemd Han Van De, Testa Bernard, Folkers Gerd