Prediction of dielectric dissipation factors of polymers from cyclic dimer structure using multiple linear regression and support vector machine
作者：Jie Xu & Ligen Zhu & Dong Fang & Li Liu & Luoxin Wang & Weilin Xu
關(guān)鍵字：QSPR . Dielectric dissipation factors .
論文來源：期刊
具體來源：Colloid Polym Sci
發(fā)表時間：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.