Editors: Subhash C. Basak, Guillermo Restrepo, José L. Villaveces

Advances in Mathematical Chemistry and Applications

Volume 1

eBook: US $79 Special Offer (PDF + Printed Copy): US $158
Printed Copy: US $119
Library License: US $316
ISSN: 2542-369X (Print)
ISSN: 2352-7668 (Online)
ISBN: 978-1-60805-929-4 (Print)
ISBN: 978-1-60805-928-7 (Online)
Year of Publication: 2014
DOI: 10.2174/97816080592871140101

Introduction

“Advances in Mathematical Chemistry and Applications, Volume 1” highlights the emerging discipline of mathematical chemistry, or, more precisely, discrete mathematical chemistry.

This volume is written by internationally renowned experts in the field. It comprises of a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology and ecological health.

The contents of this book include chapters on mathematical structural descriptors of molecules and biomolecules, topological representation of molecular structure, connectivity matrices, use of weighted 2D Fingerprints in similarity-based virtual screening and much more.

This ebook is a valuable resource for MSc and PhD students, academic personnel and researchers seeking updated and critically important information on the fundamental concepts of mathematical chemistry and their applications.

Indexed in: Book Citation Index, Science Edition, EBSCO.

Contributors

Editor(s):
Subhash C. Basak
International Society of Mathematical Chemistry
USA


Guillermo Restrepo
Universidad de Pamplona
Colombia


José L. Villaveces
Universidad de los Andes
Colombia




Contributor(s):
Shereena M. Arif
Information School
University of Sheffield
211 Portobello Street
Sheffield S1 4DP
UK
/
Faculty of Information Science and Technology
Universiti Kebangsaan Malaysia
43600 UKM Bangi
Malaysia


Subhash C. Basak
International Society of Mathematical Chemistry
1802 Stanford Avenue
Duluth
MN, 55811

/
UMD-NRRI
5013 Miller Trunk Highway
Duluth
MN, 55811
USA


Apurba Bhattacharjee
Department of Medicinal Chemistry
Division of Experimental Therapeutics
Walter Reed Army Institute of Research
503 Robert Grant Avenue
Silver Spring
MD, 20910-7500
USA


Danail Bonchev
Center for the Study of Biological Complexity
Virginia Commonwealth University
Richmond
VA, 23284-2030
USA


Pratim K. Chattaraj
Department of Chemistry and Center for Theoretical Studies
Indian Institute of Technology
Kharagpur, 721302
India


Matthias Dehmer
Institute of Bioinformatics and Translational Research
UMIT, A-6060
Hall in Tyrol
Austria


Jorge Gálvez
Molecular Connectivity and Drug Design Research Unit
Faculty of Pharmacy
Department of Physical Chemistry
University of Valencia Avd
V.A. Estellés, s/n 46100-Burjassot
Valencia
Spain


María Gálvez-Llompart
Molecular Connectivity and Drug Design Research Unit
Faculty of Pharmacy
Department of Physical Chemistry
University of Valencia Avd
V.A. Estellés, s/n 46100-Burjassot
Valencia
Spain


Ramón García-Domenech
Molecular Connectivity and Drug Design Research Unit
Faculty of Pharmacy
Department of Physical Chemistry
University of Valencia Avd
V.A. Estellés, s/n 46100-Burjassot
Valencia
Spain


Ralf Gugisch
Department of Mathematics
University of Bayreuth
Universitätsstraße 30
Bayreuth, 95447
Germany


Ray Hefferlin
Physics Department
Southern Adventist University
Collegedale
Tennessee, 37315
USA


John D. Holliday
Information School
University of Sheffield
211 Portobello Street
Sheffield
S1, 4DP
UK


Adalbert Kerber
Department of Mathematics
University of Bayreuth
Universitätsstraße 30
Bayreuth, 95447
Germany


Axel Kohnert
Department of Mathematics
University of Bayreuth
Universitätsstraße 30
Bayreuth, 95447
Germany


Reinhard Laue
Department of Mathematics
University of Bayreuth
Universitätsstraße 30
Bayreuth, 95447
Germany


Bono Lučić
The Ruđer Bošković Institute
P.O.Box 180
HR-10 002 Zagreb
Croatia


Markus Meringer
Department of Atmospheric Processors
German Aerospace Center (DLR)
Oberpfaffenhofen
Münchner Straße 20, 82234 Wessling
Germany


Lakshminarasimhan Rajagopalan
Department of Computational Chemistry
Jubilant Biosys Limited
Bangalore, 560 022
India


Hariharan Rajesh
Department of Computational Chemistry
Jubilant Biosys Limited
Bangalore, 560 022
India
/
Shanmugha Arts, Science, Technology, and Research Academy
Thanjavur
TN, 613 402
India


Guillermo Restrepo
Laboratorio de Química Teórica
Universidad de Pamplona
Pamplona
Colombia


Debesh R. Roy
Department of Chemistry and Center for Theoretical Studies
Indian Institute of Technology
Kharagpur, 721302
India
/
Department of Applied Physics
S. V. National Institute of Technology
Surat, 395007
India


Christoph Rücker
Institute of Sustainable and Environmental Chemistry
Leuphana University Lüneburg
Scharnhorststraße 1
Lüneburg, 21335
Germany


Lavanya Sivakumar
Institute of Bioinformatics and Translational Research
UMIT, A-6060
Hall in Tyrol
Austria


Ivan Sović
The Ruđer Bošković Institute
P.O.Box 180
HR-10 002 Zagreb
Croatia


Nenad Trinajstić
The Ruđer Bošković Institute
P.O.Box 180
HR-10 002 Zagreb
Croatia


Vellarkad N. Viswanadhan
Department of Computational Chemistry
Jubilant Biosys Limited
Bangalore, 560 022
India


Marjan Vračko
Kemijski inštitut/National Institute of Chemistry
Hajdrihova 19
1000 Ljubljana
Slovenia


Alfred Wassermann
Department of Mathematics
University of Bayreuth
Universitätsstraße 30
Bayreuth, 95447
Germany


Peter Willett
Information School
University of Sheffield
211 Portobello Street
Sheffield S1 4DP
UK




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