简介
"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"--
目录
Table of contents Frontmatter (pages i–xviii)
Bridging Chemical and Biological Information: Public Knowledge Spaces (pages 1–24)Paul A. Thiessen, Wolf-D. Ihlenfeldt, Evan E. Bolton and Stephen H. Bryant
Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery (pages 25–56)Jeremy L. Jenkins, Josef Scheiber, Dmitri Mikhailov, Andreas Bender, Ansgar Schuffenhauer, Ben Cornett, Vivien Chan, Jason Kondracki, Bernhard Rohde and John W. Davies
Chemoinformatics Taking Biology into Account: Proteochemometrics (pages 57–92)Jarl E. S. Wikberg, Ola Spjuth, Martin Eklund and Maris Lapins
Compound Activities in Times of Systems Biology (pages 93–106)David E. Patterson
Molecular Descriptors for Biological Systems (pages 107–143)N. Sukumar, Sourav Das, Michael Krein, Rahul Godawat, Inna Vitol, Shekhar Garde, Kristin P. Bennett and Curt M. Breneman
Graphs: Flexible Representations of Molecular Structures and Biological Networks (pages 145–177)Milind Misra, Shawn Martin and Jean-Loup Faulon
Workflow Tools for Managing Biological and Chemical Data (pages 179–209)Thorsten Meinl, Bernd Wiswedel and Michael R. Berthold
Using Chemical Structure to Infer Biological Function (pages 211–238)Angelo D. Favia and Irene Nobeli
Using Chemical Structure as Probes for Biological Networks (pages 239–259)Florian Nigsch
Bridging Chemical and Biological Information: Public Knowledge Spaces (pages 1–24)Paul A. Thiessen, Wolf-D. Ihlenfeldt, Evan E. Bolton and Stephen H. Bryant
Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery (pages 25–56)Jeremy L. Jenkins, Josef Scheiber, Dmitri Mikhailov, Andreas Bender, Ansgar Schuffenhauer, Ben Cornett, Vivien Chan, Jason Kondracki, Bernhard Rohde and John W. Davies
Chemoinformatics Taking Biology into Account: Proteochemometrics (pages 57–92)Jarl E. S. Wikberg, Ola Spjuth, Martin Eklund and Maris Lapins
Compound Activities in Times of Systems Biology (pages 93–106)David E. Patterson
Molecular Descriptors for Biological Systems (pages 107–143)N. Sukumar, Sourav Das, Michael Krein, Rahul Godawat, Inna Vitol, Shekhar Garde, Kristin P. Bennett and Curt M. Breneman
Graphs: Flexible Representations of Molecular Structures and Biological Networks (pages 145–177)Milind Misra, Shawn Martin and Jean-Loup Faulon
Workflow Tools for Managing Biological and Chemical Data (pages 179–209)Thorsten Meinl, Bernd Wiswedel and Michael R. Berthold
Using Chemical Structure to Infer Biological Function (pages 211–238)Angelo D. Favia and Irene Nobeli
Using Chemical Structure as Probes for Biological Networks (pages 239–259)Florian Nigsch
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