The Topology of Molecule and Its Lipophilicity

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

Journal Name: Current Computer-Aided Drug Design

Volume 2 , Issue 4 , 2006

Become EABM
Become Reviewer


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

Rights & PermissionsPrintExport Cite as

Article Details

Year: 2006
Page: [369 - 403]
Pages: 35
DOI: 10.2174/157340906778992364
Price: $65

Article Metrics

PDF: 3