The Topology of Molecule and Its Lipophilicity

Title: The Topology of Molecule and Its Lipophilicity

Volume: 2 Issue: 4

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

Affiliation:

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

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.

Cite this article as:

Agrawal K. Vijay, Singh Jyoti, Louis Bruno, Joshi Shobha, Joshi Ashok and Khadikar V. Padmakar, The Topology of Molecule and Its Lipophilicity, Current Computer-Aided Drug Design 2006; 2(4) . https://dx.doi.org/10.2174/157340906778992364