Advances in Mathematical Chemistry and Applications

Advances in Mathematical Chemistry and Applications

Volume: 1

Editor(s): Subhash C. Basak, Guillermo Restrepo and José L. Villaveces

Indexed in: EBSCO, Ulrich's Periodicals Directory

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Foreword  promotion: free to download

Pp. i-ii (2)

Alexandru T. Balaban



Preface  promotion: free to download

Pp. iii-x (8)

Subhash C. Basak, Guillermo Restrepo and José L. Villaveces



List of Contributors  promotion: free to download

Pp. xi-xiv (4)

Subhash C. Basak, Guillermo Restrepo and José L. Villaveces



Acknowledgments  promotion: free to download

Pp. xv-xvi (2)

Subhash C. Basak, Guillermo Restrepo and José L. Villaveces



Mathematical Structural Descriptors of Molecules and Biomolecules: Background and Applications

Pp. 3-23 (21)

Subhash C. Basak


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Ordering Thinking in Chemistry

Pp. 24-41 (18)

Guillermo Restrepo


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On the Concept for Overall Topological Representation of Molecular Structure

Pp. 42-75 (34)

Danail Bonchev


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The Four Connectivity Matrices, Their Indices, Polynomials and Spectra

Pp. 76-91 (16)

Bono Lučić, Ivan Sović and Nenad Trinajstić


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

Pp. 92-112 (21)

Shereena M. Arif, John D. Holliday and Peter Willett


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MOLGEN 5.0, A Molecular Structure Generator

Pp. 113-138 (26)

Ralf Gugisch, Adalbert Kerber, Axel Kohnert, Reinhard Laue, Markus Meringer, Christoph Rücker and Alfred Wassermann


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On Comparability Graphs: Theory and Applications

Pp. 139-160 (22)

Matthias Dehmer and Lavanya Sivakumar


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Basic Concepts and Applications of Molecular Topology to Drug Design

Pp. 161-195 (35)

Jorge Gálvez, María Gálvez-Llompart and Ramón García-Domenech


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Conceptual Density Functional Theory of Chemical Reactivity

Pp. 196-221 (26)

Pratim K. Chattaraj and Debesh R. Roy


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

Pp. 222-250 (29)

Marjan Vračko


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Recent Advances in the Assessment of Druglikeness Using 2DStructural Descriptors

Pp. 251-272 (22)

Hariharan Rajesh, Lakshminarasimhan Rajagopalan and Vellarkad N. Viswanadhan


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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


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Molecular Taxonomy

Pp. 306-319 (14)

Ray Hefferlin


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Index  promotion: free to download

Pp. 320-337 (18)

Subhash C. Basak, Guillermo Restrepo and José L. Villaveces