Book description
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.
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.
