On the topological estimation of the chromatographic capacity factor (Ki)

被引：0
|
作者：
Agrawal, VK
Khadikar, PV [1 ]
机构：
[1] APS Univ, Dept Chem, QSAR & Comp Chem Labs, Rewa 486003, India
[2] Laxmi Fumigat & Pest Control Pvt Ltd, Div Res, Indore 452007, Madhya Pradesh, India
来源：
REVUE ROUMAINE DE CHIMIE | 2003年 / 48卷 / 10期
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D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The chromatographic capacity factor (K-i) for a series of ester and amide derivatives of octahydro-11-oxodibenzo[b,e]thiepin propionic acids was modelled topologically using molecular redundancy (MRI), equalized electronegativity (chi(eq)), and van der Waals volume (Vw). The regression analysis of the data indicated that multiparametric correlations gave statistically significant results upon introducing a dummy parameter.
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页码：795 / 800
页数：6
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