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
Current Computer-Aided Drug Design
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.
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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
DOI https://dx.doi.org/10.2174/157340906778992364 |
Print ISSN 1573-4099 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6697 |
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