Contents

Current Computer-Aided Drug Design, Volume 9 - Number 2

Editorial (Hot Topic: Molecular Topology and Chemical Connectivity)

, 9(2): 151 - 152

Ovidiu Ivanciuc


DOI: 10.2174/15734099113099990001




Chemical Graphs, Molecular Matrices and Topological Indices in Chemoinformatics and Quantitative Structure-Activity Relationships§

, 9(2): 153 - 163

Ovidiu Ivanciuc


DOI: 10.2174/1573409911309020002




Shannon’s, Mutual, Conditional and Joint Entropy Information Indices: Generalization of Global Indices Defined from Local Vertex Invariants

, 9(2): 164 - 183

Stephen J. Barigye, Yovani Marrero-Ponce, Oscar Martinez Santiago, Yoan Martinez Lopez, Facundo Perez-Gimenez and Francisco Torrens


DOI: 10.2174/1573409911309020003




The Sum-Connectivity Index - An Additive Variant of the Randic Connectivity Index§

, 9(2): 184 - 194

Bono Lucic, Ivan Sovic, Jadranko Batista, Karolj Skala, Dejan Plavsic, Drazen Vikic-Topic, Drago Beslo, Sonja Nikolic and Nenad Trinajstic


DOI: 10.2174/1573409911309020004




Molecular Design and QSARs/QSPRs with Molecular Descriptors Family

, 9(2): 195 - 205

Sorana D. Bolboaca, Lorentz Jantschi and Mircea V. Diudea


DOI: 10.2174/1573409911309020005




Evolutionary Computation and QSAR Research

, 9(2): 206 - 225

Vanessa Aguiar-Pulido, Marcos Gestal, Maykel Cruz-Monteagudo, Juan R. Rabunal, Julian Dorado and Cristian R. Munteanu


DOI: 10.2174/1573409911309020006




OCWLGI Descriptors: Theory and Praxis

, 9(2): 226 - 232

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati and Giuseppina Gini


DOI: 10.2174/1573409911309020007




Flow Network QSAR for the Prediction of Physicochemical Properties by Mapping an Electrical Resistance Network onto a Chemical Reaction Poset§

, 9(2): 233 - 240

Ovidiu Ivanciuc, Teodora Ivanciuc and Douglas J. Klein


DOI: 10.2174/1573409911309020008




Information Theoretic Entropy for Molecular Classification: Oxadiazolamines as Potential Therapeutic Agents

, 9(2): 241 - 253

Francisco Torrens and Gloria Castellano


DOI: 10.2174/1573409911309020009




Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§

, 9(2): 254 - 271

Irene Luque Ruiz, Gonzalo Cerruela Garcia and Miguel Angel Gomez-Nieto


DOI: 10.2174/1573409911309020010




Molecular Electrostatic Potential as a Graph

, 9(2): 272 - 280

Edgar E. Daza, Julio Maza and Raul Torres


DOI: 10.2174/1573409911309020011




Molecular Determinants of the Bacterial Resistance to Fluoroquinolones: A Computational Study

, 9(2): 281 - 288

Cecylia S. Lupala, Patricia Gomez-Gutierrez and Juan J. Perez


DOI: 10.2174/15734099113099990004




Experimental and Computational Studies on the Inhibition of Acetylcholinesterase by Curcumin and Some of its Derivatives

, 9(2): 289 - 298

Veronica Tello-Franco, Maria Concepcion Lozada-Garcia and Manuel Soriano-Garcia


DOI: 10.2174/15734099113099990007




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