Correlation and prediction of the refractive indices of polymers by QSPR

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Abstract

A general QSPR model (R2 = 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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Katritzky, A. R., Sild, S., & Karelson, M. (1998). Correlation and prediction of the refractive indices of polymers by QSPR. Journal of Chemical Information and Computer Sciences, 38(6), 1171–1176. https://doi.org/10.1021/ci980087w

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