Correlation and prediction of the refractive indices of polymers by QSPR

被引：123

作者：

Katritzky, AR

Sild, S

Karelson, M ^{[1
]}

机构：

[1] Univ Florida, Ctr Heterocycl Cpds, Gainesville, FL 32611 USA

[2] Tartu State Univ, Inst Chem Phys, EE-2400 Tartu, Estonia

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1998年 / 38卷 / 06期

关键词：

D O I：

10.1021/ci980087w

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A general QSPR model (R-2 = 0.940, s = 0.018) was developed for the prediction of the refractive index for a diverse set of amorphous homopolymers with the CODESSA program. The five descriptors, involved in the model, are calculated from the structure of the repeating unit of the polymer. The average prediction error by this model is 0.9%.

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页码：1171 / 1176

页数：6

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