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QSAR study on solubility of alkanes in water and their partition coefficients in different solvent systems using PI index

被引：40
作者：
Khadikar, PV
Mandloi, D
Bajaj, AV
Joshi, S
机构：
[1] Laxmi Fumigat & Pest Control, Div Res, Indore 452007, India
[2] DA Univ, Inst Engn & Technol, Indore 452017, India
[3] DA Univ, Sch Chem Sci, Indore 452017, India
来源：
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2003年 / 13卷 / 03期
关键词：
D O I：
10.1016/S0960-894X(02)00953-8
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
The aqueous solubility (S-w) of liquids and solids, expressed as log S-w as well as their partition coefficients in different solvent systems viz. P-oct (partition coefficient in octanol-water), P-16 (partition coefficient in water-hexadecane), P-alk (partition coefficient in water-alkane), and P-cyc (partition coefficient in water-cyclohexane), and aqueous solubility (S-w) have been estimated using the PI (Padmakar-lvan) index and the results compared with those obtained using the widely used Wiener index (W). Regression analysis of the data using n-alkanes show that the PI index gives better results than the W index. (C) 2002 Elsevier Science Ltd. All rights reserved.
引用
收藏
页码：419 / 422
页数：4
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