The Topology of Molecule and Its Lipophilicity

被引：12

作者：

Agrawal, Vijay K. ^{[2
,3
]}

Singh, Jyoti ^{[2
,3
]}

Louis, Bruno ^{[4
]}

Joshi, Shobha ^{[5
]}

Joshi, Ashok ^{[6
]}

Khadikar, Padmakar V. ^{[1
]}

机构：

[1] Laxmi Fumigat & Pest Control Pvt Ltd, Div Res, Indore 452007, Madhya Pradesh, India

[2] APS Univ, QSAR, Rewa 486003, India

[3] APS Univ, Comp Chem Labs, Rewa 486003, India

[4] Sultan Qaboos Univ Hosp, Dept Pharm, Muscat 123, Oman

[5] Govt Model & Autonomus Holkar Coll, Dept Chem, Indore, Madhya Pradesh, India

[6] Upzon Drugs Pvt Ltd, Indore 452015, Madhya Pradesh, India

来源：

CURRENT COMPUTER-AIDED DRUG DESIGN | 2006年 / 2卷 / 04期

关键词：

Lipophilicity; hydrophobicity; topology; topological index; regression analysis; organic-water solubility; curvilinear analysis;

D O I：

10.2174/157340906778992364

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

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.

引用

页码：369 / 403

页数：35

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