A Quantitative Structure - Permittivity Relationship Study of a Series of Polymers

Dielectric constant is a value, that is widely applied in many scientific fields, and characterizes the degree of polarization of substances under the external electric field. In this work, a structure-property relationship of dielectric constants (ε) for a diverse set of polymers was investigated. A transparent mechanistic model was developed with application of a genetic algorithm combined with multiple linear regression analysis (GA-MLRA), to get a mechanistically explainable and transparent model. Based on the evaluation conducted using various validation criteria, four- and eight-variable models were proposed. Obtained statistical performance results and selected descriptors in the best models were analyzed and discussed. With the validation procedures applied the models were proven to have a good predictive ability and robustness.

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