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Current Computer-Aided Drug Design


ISSN (Print): 1573-4099
ISSN (Online): 1875-6697

The Topology of Molecule and Its Lipophilicity

Author(s): Vijay K. Agrawal, Jyoti Singh, Bruno Louis, Shobha Joshi, Ashok Joshi and Padmakar V. Khadikar

Volume 2, Issue 4, 2006

Page: [369 - 403] Pages: 35

DOI: 10.2174/157340906778992364

Price: $65


This review describes topology of the molecule and lipophilicity in that several examples of topological estimation of lipophilicity of the molecule are discussed critically. In doing so, the earlier non-topology methods used to estimate lipophilicity was first discussed critically. Usually, lipophilicity is referred to as partition of organic compound between octanol-water systems, however, some other solvent-systems were also examined topologically. All the proposed models were confirmed by variety of statistical analyses.

Keywords: Lipophilicity, hydrophobicity, topology, topological index, regression analysis, organic-water solubility, curvilinear analysis

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