Search Result "topological indices"


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

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 153-163
Author(s): Ovidiu Ivanciuc

Kernel-Based Feature Selection Techniques for Transport Proteins Based on Star Graph Topological Indices

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1681-1691
Author(s): Carlos Fernandez-Lozano, Marcos Gestal, Nieves Pedreira-Souto, Lucian Postelnicu, Julian Dorado, Cristian Robert Munteanu

S2SNet: A Tool for Transforming Characters and Numeric Sequences into Star Network Topological Indices in Chemoinformatics, Bioinformatics, Biomedical, and Social-Legal Sciences

Journal: Current Bioinformatics
Volume: 8 Issue: 4 Year: 2013 Page: 429-437
Author(s): Cristian R. Munteanu, Alexandre L. Magalhaes, Aliuska Duardo-Sanchez, Alejandro Pazos, Humberto Gonzalez-Diaz

Parabolic Reactivity “Coloring” Molecular Topology: Application to Carcinogenic PAHs

Journal: Current Organic Chemistry
Volume: 17 Issue: 23 Year: 2013 Page: 2816-2830
Author(s): Mihai V. Putz,Ottorino Ori,Franco Cataldo,Ana-Maria Putz

Modeling Anti-Allergic Natural Compounds by Molecular Topology

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 8 Year: 2013 Page: 628-635
Author(s): Ramon Garcia-Domenech, Riccardo Zanni, Maria Galvez-Llompart, J. Vicente de Julian-Ortiz

Topological Indices and Total Energy of Zig-Zag Polyhex Nanotubes

Journal: Current Nanoscience
Volume: 9 Issue: 4 Year: 2013 Page: 502-513
Author(s): Mehdi Eliasi

Markov-Randi c Indices for QSPR Re-Evaluation of Metabolic, Parasite- Host, Fasciolosis Spreading, Brain Cortex and Legal-Social Complex Networks

Journal: Current Bioinformatics
Volume: 8 Issue: 4 Year: 2013 Page: 401-415
Author(s): Pablo Riera-Fernandez, Cristian R. Munteanu, Raquel Martin-Romalde, Aliuska Duardo-Sanchez, Humberto Gonzalez-Diaz

Topological and Physicochemical Characteristics of 1,2,3,4-Tetrahydroacridin- 9(10H)-Ones and Their Antimalarial Profiles: A Composite Insight to the Structure-Activity Relation§

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 317-335
Author(s): Brij K. Sharma,Saroj Verma,Yenamandra S. Prabhakar

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

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 164-183
Author(s): Stephen J. Barigye,Yovani Marrero-Ponce,Oscar Martinez Santiago,Yoan Martinez Lopez,Facundo Perez-Gimenez,Francisco Torrens

Graph Theory Concepts in the Rationales of Anti HIV-1 Compounds

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 472-481
Author(s): Utsab Debnath,Seturam B. Katti,Yenamandra S. Prabhakar

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