Computational Approaches in Cheminformatics and Bioinformatics (ePub)
(Sprache: Englisch)
A breakthrough guide employing knowledge that unites
cheminformatics and bioinformatics as innovation for the future
Bridging the gap between cheminformatics and bioinformatics for
the first time, Computational Approaches in Cheminformatics...
cheminformatics and bioinformatics as innovation for the future
Bridging the gap between cheminformatics and bioinformatics for
the first time, Computational Approaches in Cheminformatics...
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A breakthrough guide employing knowledge that unites
cheminformatics and bioinformatics as innovation for the future
Bridging the gap between cheminformatics and bioinformatics for
the first time, Computational Approaches in Cheminformatics and
Bioinformatics provides insight on how to blend these two sciences
for progressive research benefits. It describes the development and
evolution of these fields, how chemical information may be used for
biological relations and vice versa, the implications of these new
connections, and foreseeable developments in the future.
Using algorithms and domains as workflow tools, this
revolutionary text drives bioinformaticians to consider chemical
structure, and similarly, encourages cheminformaticians to consider
large biological systems such as protein targets and networks.
Computational Approaches in Cheminformatics and Bioinformatics
covers:
* Data sources available for modelling and prediction purposes
* Developments of conventional Quantitative Structure-Activity
Relationships (QSAR)
* Computational tools for manipulating chemical and biological
data
* Novel ways of probing the interactions between small molecules
and proteins
Also including insight from public (NIH), academic, and
industrial sources (Novartis, Pfizer), this book offers expert
knowledge to aid scientists through industry and academic study.
The invaluable applications for drug discovery, cellular and
molecular biology, enzymology, and metabolism make Computational
Approaches in Cheminformatics and Bioinformatics the essential
guidebook for evolving drug discovery research and alleviating the
issue of chemical control and manipulation of various systems.
cheminformatics and bioinformatics as innovation for the future
Bridging the gap between cheminformatics and bioinformatics for
the first time, Computational Approaches in Cheminformatics and
Bioinformatics provides insight on how to blend these two sciences
for progressive research benefits. It describes the development and
evolution of these fields, how chemical information may be used for
biological relations and vice versa, the implications of these new
connections, and foreseeable developments in the future.
Using algorithms and domains as workflow tools, this
revolutionary text drives bioinformaticians to consider chemical
structure, and similarly, encourages cheminformaticians to consider
large biological systems such as protein targets and networks.
Computational Approaches in Cheminformatics and Bioinformatics
covers:
* Data sources available for modelling and prediction purposes
* Developments of conventional Quantitative Structure-Activity
Relationships (QSAR)
* Computational tools for manipulating chemical and biological
data
* Novel ways of probing the interactions between small molecules
and proteins
Also including insight from public (NIH), academic, and
industrial sources (Novartis, Pfizer), this book offers expert
knowledge to aid scientists through industry and academic study.
The invaluable applications for drug discovery, cellular and
molecular biology, enzymology, and metabolism make Computational
Approaches in Cheminformatics and Bioinformatics the essential
guidebook for evolving drug discovery research and alleviating the
issue of chemical control and manipulation of various systems.
Inhaltsverzeichnis zu „Computational Approaches in Cheminformatics and Bioinformatics (ePub)“
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).
Autoren-Porträt
RAJARSHI GUHA, PhD, is a Research Scientist at the NIHCenter 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.
Bibliographische Angaben
- 2011, 1. Auflage, 288 Seiten, Englisch
- Herausgegeben: Rajarshi Guha, Andreas Bender
- Verlag: John Wiley & Sons
- ISBN-10: 1118131428
- ISBN-13: 9781118131428
- Erscheinungsdatum: 30.11.2011
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