Journal of Chemical Information and Computer Sciences · 1998 · 133 citations · 12 references
Materials SciencePolymer MaterialCodessa ProgramEngineeringOptical PropertiesPolymer ScienceApplied PhysicsRefractive IndicesGeneral Qspr ModelPolymer PhysicPolymer ModelingPolymer PropertyPolymer AnalysisBiophysicsRefractive IndexPolymer ChemistryPolymers
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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Prediction of polymer properties
Choice Reviews Online · 1993 · 687 citations
Alan R. Katritzky, Lan Mu, Victor S. Lobanov et al. · The Journal of Physical Chemistry · 1996 · 243 citations
Engineering, Quantitative Structure−property Relationship, Organic Chemistry +16
Paul D. T. Huibers, Victor S. Lobanov, Alan R. Katritzky et al. · Journal of Colloid and Interface Science · 1997 · 136 citations
Analytical Chemistry, Chemistry, Critical Micelle Concentration +4