Chemoinformatics and Computational Chemical Biology
Editors: Bajorath, Jürgen (Ed.)
Free Preview- Features detailed contributions from researchers who have shaped the chemoinformatics field
- Reflects classic techniques for chemoinformatics and chemical biology as well as cutting-edge methodologies
- Includes easy to use information and clear advice to guide readers toward successful implementation
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- About this book
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Over the past years, the chem(o)informatics field has further evolved and new application areas have opened up, for example, in the broadly defined area of chemical biology. In Chemoinformatics and Computational Chemical Biology, leading investigators bring together a detailed series of reviews and methods including, among others, system-directed approaches using small molecules, the design of target-focused compound libraries, the study of molecular selectivity, and the systematic analysis of target-ligand interactions. Furthermore, the book delves into similarity methods, machine learning, probabilistic approaches, fragment-based methods, as well as topics that go beyond the current chemoinformatics spectrum, such as knowledge-based modeling of G protein-coupled receptor structures and computational design of siRNA libraries. As a volume in the highly successful Methods in Molecular Biology™ series, this collection provides detailed descriptions and implementation advice that are exceedingly relevant for basic researchers and practitioners in this highly interdisciplinary research and development area. Cutting-edge and unambiguous, Chemoinformatics and Computational Chemical Biology serves as an ideal guide for experts and newcomers alike to this vital and dynamic field of study.
- Table of contents (22 chapters)
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Some Trends in Chem(o)informatics
Pages 1-37
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Molecular Similarity Measures
Pages 39-100
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The Ups and Downs of Structure–Activity Landscapes
Pages 101-117
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Computational Analysis of Activity and Selectivity Cliffs
Pages 119-132
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Similarity Searching Using 2D Structural Fingerprints
Pages 133-158
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Table of contents (22 chapters)
- Download Preface 1 PDF (29.8 KB)
- Download Sample pages 1 PDF (1 MB)
- Download Table of contents PDF (38.8 KB)
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Bibliographic Information
- Bibliographic Information
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- Book Title
- Chemoinformatics and Computational Chemical Biology
- Editors
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- Jürgen Bajorath
- Series Title
- Methods in Molecular Biology
- Series Volume
- 672
- Copyright
- 2011
- Publisher
- Humana Press
- Copyright Holder
- Springer Science+Business Media, LLC
- eBook ISBN
- 978-1-60761-839-3
- DOI
- 10.1007/978-1-60761-839-3
- Hardcover ISBN
- 978-1-60761-838-6
- Softcover ISBN
- 978-1-4939-5793-4
- Series ISSN
- 1064-3745
- Edition Number
- 1
- Number of Pages
- X, 588
- Topics
