Contents

Current Computer-Aided Drug Design, Volume 7 - Number 2

Editorial [Hot Topic: Applications of Graph Theory, Network Theory, and Chemotopology to Structure-Activity Relationships and Characterization of Metabolic Processes (Guest Editors: Subhash C. Basak and Guillermo Restrepo)]

, 7(2): 81 - 82

Guillermo Restrepo and Subhash C. Basak


DOI: 10.2174/157340911795677620




On Molecular Graph Comparison

, 7(2): 83 - 89

Jenny A. Melo and Edgar Daza


DOI: 10.2174/157340911795677594




Chemotopology: Beyond Neighbourhoods

, 7(2): 90 - 97

Guillermo Restrepo and Heber Mesa


DOI: 10.2174/157340911795677585




Quantitative Structure-Activity Relationships for Anticancer Activity of 2- Phenylindoles Using Mathematical Molecular Descriptors

, 7(2): 98 - 108

Subhash C. Basak, Qianhong Zhu and Denise Mills


DOI: 10.2174/157340911795677648




Comparison of QSARs and Characterization of Structural Basis of Bioactivity Using Partial Order Theory and Formal Concept Analysis: A Case Study with Mutagenicity

, 7(2): 109 - 121

Guillermo Restrepo, Subhash C. Basak and Denise Mills


DOI: 10.2174/157340911795677639




Metabolic Networks: Beyond the Graph

, 7(2): 122 - 132

Andres Bernal and Edgar Daza


DOI: 10.2174/157340911795677611




Partially Ordered Sets: Ranking and Prediction of Substances Properties

, 7(2): 133 - 145

Guillermo Restrepo, Rainer Bruggemann and Douglas J. Klein


DOI: 10.2174/157340911795677657




Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

, 7(2): 146 - 157

Xuan-Yu Meng, Hong-Xing Zhang, Mihaly Mezei and Meng Cui


DOI: 10.2174/157340911795677602




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