Prediction of dielectric dissipation factors of polymers from cyclic dimer structure using multiple linear regression and support vector machine

来源：许杰教授个人网站发布日期：2013-07-18

作者：Jie Xu & Ligen Zhu & Dong Fang & Li Liu & Luoxin Wang & Weilin Xu
关键字：QSPR . Dielectric dissipation factors .
论文来源：期刊
具体来源：Colloid Polym Sci
发表时间：2013年

A quantitative structure–property relationship (QSPR) study was performed for the prediction of the dielectric dissipation factors tanδ of polymers by using multiple
linear regression (MLR) and support vector machine (SVM) methods. Molecular descriptors of the polymers were calculated from their corresponding cyclic dimer structures. The obtained models with the frequency of measurement (v) and five descriptors as inputs show good predictive ability, and the SVM model predicts the tanδ more accurately than the MLR model. In addition, this QSPR study reflects that the tanδ values of polymers mainly depend on the molecular size and the electronegativities of atoms and substituents as well as the measurement frequency.

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