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Methods in Molecular Biology

Chemoinformatics and Computational Chemical Biology

Editors: Bajorath, Jürgen (Ed.)

  • 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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eBook $169.00
price for USA (gross)
  • ISBN 978-1-60761-839-3
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $219.00
price for USA
  • ISBN 978-1-60761-838-6
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

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)

  • Some Trends in Chem(o)informatics

    Warr, Wendy A.

    Pages 1-37

  • Molecular Similarity Measures

    Maggiora, Gerald M. (et al.)

    Pages 39-100

  • The Ups and Downs of Structure–Activity Landscapes

    Guha, Rajarshi

    Pages 101-117

  • Computational Analysis of Activity and Selectivity Cliffs

    Peltason, Lisa (et al.)

    Pages 119-132

  • Similarity Searching Using 2D Structural Fingerprints

    Willett, Peter

    Pages 133-158

Buy this book

eBook $169.00
price for USA (gross)
  • ISBN 978-1-60761-839-3
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $219.00
price for USA
  • ISBN 978-1-60761-838-6
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Chemoinformatics and Computational Chemical Biology
Editors
  • 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
Series ISSN
1064-3745
Edition Number
1
Number of Pages
X, 588
Topics