Current Computer-Aided Drug Design

Subhash C. Basak
Departments of Chemistry, Biochemistry & Molecular Biology University of Minnesota Duluth
Duluth, MN 55811
USA

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The Topology of Molecule and Its Lipophilicity

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

Abstract:

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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Article Details

VOLUME: 2
ISSUE: 4
Year: 2006
Page: [369 - 403]
Pages: 35
DOI: 10.2174/157340906778992364
Price: $58