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A general quantitative structure–property relationship treatment for dielectric constants of polymers
Author(s) -
Xu Jie,
Wang Lei,
Liang Guijie,
Wang Luoxin,
Shen Xiaolin
Publication year - 2011
Publication title -
polymer engineering and science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.503
H-Index - 111
eISSN - 1548-2634
pISSN - 0032-3888
DOI - 10.1002/pen.22016
Subject(s) - polymer , multilinear map , quantitative structure–activity relationship , materials science , dielectric , universality (dynamical systems) , repeatability , test set , set (abstract data type) , mathematics , computer science , statistics , composite material , machine learning , pure mathematics , physics , optoelectronics , quantum mechanics , programming language
The dielectric constant (ε) of a polymer represents the capacitance of the polymer relative to a vacuum and is important in many industrial applications. Nevertheless, accurate experimental ε values of polymers are often unavailable, and current prediction methods lack universality and suitability. Reported here is the development and testing of a new QSPR (quantitative structure property relationship) correlation of ε for polymers. The entire set of 57 polymers was divided into a training set of 45 polymers and a test set of 12 polymers according to Kennard and Stones algorithm. A nine‐descriptor model, with squared correlation coefficient ( R 2 ) of 0.9384 and standard error of estimation ( s ) of 0.0873, was produced by using the stepwise multilinear regression analysis (MLRA) on the training set. The reliability of the proposed model was further illustrated using various evaluation techniques: leave‐one‐out cross‐validation procedure, randomization tests, and validation through the test set. POLYM. ENG. SCI., 2011. ©2011 Society of Plastics Engineers.