Correlation and Prediction of the Refractive Indices of Polymers by QSPR
Alan R. KatritzkyCenter for Heterocyclic Compounds, University of Florida, Gainesville, Florida 32611-7200, and Institute of Chemical Physics, University of Tartu, 2 Jakobi Street, EE 2400 Tartu, EstoniaSulev SildCenter for Heterocyclic Compounds, University of Florida, Gainesville, Florida 32611-7200, and Institute of Chemical Physics, University of Tartu, 2 Jakobi Street, EE 2400 Tartu, EstoniaMati KarelsonCenter for Heterocyclic Compounds, University of Florida, Gainesville, Florida 32611-7200, and Institute of Chemical Physics, University of Tartu, 2 Jakobi Street, EE 2400 Tartu, Estonia
1998en
ABI
Annotatsiya
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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