Book description
This handbook and ready reference presents a combination of
statistical, information-theoretic, and data analysis methods to meet
the challenge of designing empirical models involving molecular
descriptors within bioinformatics. The topics range from investigating
information processing in chemical and biological networks to studying
statistical and information-theoretic techniques for analyzing chemical
structures to employing data analysis and machine learning techniques
for QSAR/QSPR.
The high-profile international author and editor team ensures excellent
coverage of the topic, making this a must-have for everyone working in
chemoinformatics and structure-oriented drug design.
Matthias Dehmer studied mathematics at the University of Siegen
(Germany) and received his Ph. D. in computer science from the Technical
University of Darmstadt (Germany). Afterwards, he was a research fellow
at Vienna Bio Center (Austria) and at Vienna University of Technology.
Currently, he is an Associate Professor at UMIT - The Health and Life
Sciences University (Austria). His research interests are in
bioinformatics, chemical graph theory, systems biology, complex
networks, statistics and information theory. In particular, he is also
working on machine learning-based methods to design new data analysis
methods for solving problems in computational biology and medicinal chemistry.
Kurt Varmuza studied chemistry at the Vienna University of Technology
(Austria). His research activities were first mass spectrometry and then
moved to chemometrics - mainly the application of multivariate
statistical analysis for chemistry related problems, such as
spectra-structure relationships and structureproperty relationships.
Since 1992, he has been working as a professor at the Vienna University
of Technology, currently at the Institute of Chemical Engineering.
Danail Bonchev received his Ph. D. in quantum chemistry in Sofia,
Bulgaria and D. Sc. in mathematical chemistry from the Moscow State
University in Russia. He worked till 1992 as a professor of physical
chemistry in the Assen Zlatarov University in Bourgas, Bulgaria. In 1992
he joined Texas A&M University at Galveston, and since 2003 he is
professor at Virginia Commonwealth University in Richmond. His research
includes quantum chemistry, molecular topology, QSPR and QSAR and,
recently, bioinformatics and computational biology.
