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 $171
Printed Copy: US $131
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.

Foreword

- Pp. i-ii (2)
Alexandru T. Balaban
Download Free

Preface

- Pp. iii-x (8)
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

List of Contributors

- Pp. xi-xiv (4)
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

Acknowledgments

- Pp. xv-xvi (2)
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

Mathematical Structural Descriptors of Molecules and Biomolecules: Background and Applications

- Pp. 3-23 (21)
Subhash C. Basak

PDF Price: $30

View Abstract Purchase Chapter

Ordering Thinking in Chemistry

- Pp. 24-41 (18)
Guillermo Restrepo

PDF Price: $30

View Abstract Purchase Chapter

On the Concept for Overall Topological Representation of Molecular Structure

- Pp. 42-75 (34)
Danail Bonchev

PDF Price: $30

View Abstract Purchase Chapter

The Four Connectivity Matrices, Their Indices, Polynomials and Spectra

- Pp. 76-91 (16)
Bono Lučić, Ivan Sović, Nenad Trinajstić

PDF Price: $30

View Abstract Purchase Chapter

The Use of Weighted 2D Fingerprints in Similarity-Based Virtual Screening

- Pp. 92-112 (21)
Shereena M. Arif, John D. Holliday, Peter Willett

PDF Price: $30

View Abstract Purchase Chapter

MOLGEN 5.0, A Molecular Structure Generator

- Pp. 113-138 (26)
Ralf Gugisch, Adalbert Kerber, Axel Kohnert, Reinhard Laue, Markus Meringer, Christoph Rücker, Alfred Wassermann

PDF Price: $30

View Abstract Purchase Chapter

On Comparability Graphs: Theory and Applications

- Pp. 139-160 (22)
Matthias Dehmer, Lavanya Sivakumar

PDF Price: $30

View Abstract Purchase Chapter

Basic Concepts and Applications of Molecular Topology to Drug Design

- Pp. 161-195 (35)
Jorge Gálvez, María Gálvez-Llompart, Ramón García-Domenech

PDF Price: $30

View Abstract Purchase Chapter

Conceptual Density Functional Theory of Chemical Reactivity

- Pp. 196-221 (26)
Pratim K. Chattaraj, Debesh R. Roy

PDF Price: $30

View Abstract Purchase Chapter

Mathematical (Structural) Descriptors in QSAR: Applications in Drug Design and Environmental Toxicology

- Pp. 222-250 (29)
Marjan Vračko

PDF Price: $30

View Abstract Purchase Chapter

Recent Advances in the Assessment of Druglikeness Using 2DStructural Descriptors

- Pp. 251-272 (22)
Hariharan Rajesh, Lakshminarasimhan Rajagopalan, Vellarkad N. Viswanadhan

PDF Price: $30

View Abstract Purchase Chapter

Role of In Silico Stereoelectronic Properties and Pharmacophores in Aid of Discovery of Novel Antimalarials, Antileishmanials, and Insect Repellents

- Pp. 273-305 (33)
Apurba K. Bhattacharjee

PDF Price: $30

View Abstract Purchase Chapter

Molecular Taxonomy

- Pp. 306-319 (14)
Ray Hefferlin

PDF Price: $30

View Abstract Purchase Chapter

Index

- Pp. 320-337 (18)
Subhash C. Basak, Guillermo Restrepo, José L. Villaveces
Download Free

RELATED BOOKS

.Frontiers in Computational Chemistry.
.Frontiers in Computational Chemistry.
.DFT Based Studies on Bioactive Molecules.
.Frontiers in Computational Chemistry.