Computational Approaches in Cheminformatics and Bioinformatics
Published on 15. November 2011
Software
Other digital
288 pages
978-1-118-13141-1 (ISBN)
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.
More details
Language
English
Place of publication
New York
United States
Target group
Professional and scholarly
Dimensions
Height: 250 mm
Width: 150 mm
Thickness: 15 mm
Weight
666 gr
ISBN-13
978-1-118-13141-1 (9781118131411)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
Rajarshi Guha | Andreas Bender
Computational Approaches in Cheminformatics and Bioinformatics
E-Book
01/2012
Wiley
€107.99
Available for download
Rajarshi Guha | Andreas Bender
Computational Approaches in Cheminformatics and Bioinformatics
E-Book
11/2011
Wiley
€107.99
Available for download
Person
RAJARSHI GUHA , PhD, is a Research Scientist at the NIH Center for Translational Therapeutics in Rockville, Maryland. His research covers a variety of topics in cheminformatics and chemical data mining, addressing software and methodology development as well as applications in areas such as high throughput screening and high content imaging of small molecules and siRNA's. Prior to working at the NIH, he was a visiting assistant professor in the School of Informatics and Computing, Indiana University. ANDREAS BENDER , PhD, is a Lecturer for Molecular Informatics with the Unilever Centre for Molecular Science Informatics at the University of Cambridge. His research encompasses ways to integrate-and analyze-chemical, biological, and phenotypic data, with the aim to design molecular structures with a desired property profile. Andreas Bender received his PhD from the University of Cambridge and worked for the Novartis Institutes for Biomedical Research in Cambridge, Massachusetts before returning to his current position in academia.
Content
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 ).