Guha, Rajarshi / Bender, Andreas (eds.)
Computational Approaches in Cheminformatics and Bioinformatics
  1. Edition - February 2012
ca. 99.90 Euro
2012. 288 Pages, Hardcover
ISBN-10: 0-470-38441-7
ISBN-13: 978-0-470-38441-1 - John Wiley & Sons
Sample Chapter
Short description
Computational Approaches in Cheminformatics and Bioinformatics explores for the first time the unique connection between cheminformatics and bioinformatics. This revolutionary resource demonstrates how integrating these two seemingly different disciplines allows one to computationally address discovery and identification of biological systems in relation to future development. Additionally, the book includes insights from experts from public (NIH), academic, and industrial sources (Novartis, Pfizer). Scientists will find this ground-breaking book essential to the advancement of drug discovery and the issue of chemical control and manipulation of such systems.
From the contents
Contributors.
Foreword.
Preface.
Chapter 1. Bridging Chemical and Biological Data: Public Knowledge Spaces (Paul A. Thiessen, Wolf-D. Ihlenfeldt, Evan E. Bolton, and Stephen H. Bryant).
Chapter 2. Bridging Chemical and Biological Information: Implications for Pharmaceutical Drug Discovery (Jeremy L. Jenkins, Josef Scheiber, Dmitri Mikkailov, Andreas Bender, Ansgar Schuffenhauer, Ben Cornett, Vivien Chan, Jason Kondracki, Bernhard Rohde, and John W. Davies).
Chapter 3. Cheminformatics taking Biology into Account: Protochemometrics (Jarl ES Wikberg, Ola Spjuth, Martin Eklund and Maris Lapins).
Chapter 4. Compound Activities in Times of Systems Biology (David E. Patterson).
Chapter 5. Molecular Descriptors for Biological Systems (N. Sukumar, Sourav Das, Michael Krein, Rahul Godawat, Inna Vitol, Shekhar Garde, Kristin P. Bennett, and Curt M. Breneman).
Chapter 6. Graphs: Flexible Representations of Molecular Structures and Biological Networks (Milind Misra, Shawn Martin, and Jean-Loup Faulon).
Chapter 7. Workflows Tools for Managing Biological and Chemical Data (Thorsten Meinl, Bernd Wiswedel, and Michael R. Berthold).
Chapter 8. Using Chemical Structure to Infer Biological Function (Angelo D. Favia and Irene Nobeli).
Chapter 9. Using Chemical Structure as Probes for Biological Networks (Florian Nigsch).
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