Overview
- Editors:
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Hugo Kubinyi
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ZHF/G, A30, BASF AG, Ludwigshafen, Germany
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Gerd Folkers
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Department Pharmazie, ETH-Zürich, Zürich, Switzerland
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Yvonne C. Martin
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Pharmaceutical Products Division, Abbott Laboratories, Abbott Park, USA
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Table of contents (16 chapters)
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3D QSAR Methodology CoMFA and Related Approaches
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- Romano T. Kroemer, Peter Hecht, Stefan Guessregen, Klaus R. Liedl
Pages 41-56
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- Alexander Tropsha, Sung Jin Cho
Pages 57-69
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- Gabriele Cruciani, Sergio Clementi, Manuel Pastor
Pages 71-86
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- Fredrik Lindgren, Stefan Rännar
Pages 105-113
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Receptor Models and Other 3D QSAR Approaches
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- Mathew Hahn, David Rogers
Pages 117-133
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- Marion Gurrath, Gerhard Müller, Hans-Dieter Höltje
Pages 135-157
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- William J. Dunn III, Antony J. Hopfinger
Pages 167-182
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- B. David Silverman, Daniel E. Platt, Mike Pitman, Isidore Rigoutsos
Pages 183-196
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3D QSAR Applications
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- Ki Hwan Kim, Giovanni Greco, Ettore Novellino
Pages 257-315
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Back Matter
Pages 317-353
About this book
Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series, 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim of that early book was to contribute to the understanding and the further application of CoMFA and related approaches and to facilitate the appropriate use of these methods. Since then, hundreds of papers have appeared using the quickly developing techniques of both 3D QSAR and computational sciences to study a broad variety of biological problems. Again the editor(s) felt that the time had come to solicit reviews on published and new viewpoints to document the state of the art of 3D QSAR in its broadest definition and to provide visions of where new techniques will emerge or new appli- tions may be found. The intention is not only to highlight new ideas but also to show the shortcomings, inaccuracies, and abuses of the methods. We hope this book will enable others to separate trivial from visionary approaches and me-too methodology from in- vative techniques. These concerns guided our choice of contributors. To our delight, our call for papers elicited a great many manuscripts.
Reviews
`... Volume 3 is a valuable resource text for scientists with a background or serious interest in 3D QSAR who are interested in CoMFA and related methodology. overall this 3 book series is a wonderful reference source for scientists interested 3D QSAR.'
SIM News, 49:4 (1999)
Editors and Affiliations
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ZHF/G, A30, BASF AG, Ludwigshafen, Germany
Hugo Kubinyi
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Department Pharmazie, ETH-Zürich, Zürich, Switzerland
Gerd Folkers
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Pharmaceutical Products Division, Abbott Laboratories, Abbott Park, USA
Yvonne C. Martin