Journal of Physical Chemistry B, Vol.106, No.6, 1501-1507, 2002
Prediction of indices of refraction and glass transition temperatures of linear polymers by using graph theoretical indices
Graph theoretical indices were exclusively used in the prediction of indices of refraction, n, and glass transition temperatures, T-g, into a group of addition polymers. Models with 10 variables were selected for the prediction of n (r = 0.981, SEE = 0.0147) and T-g/M (r = 0.946, SEE = 0.439). The average errors in the predictions were 0.69% and 12.7% for n and T-g, respectively. The descriptors involved in these models were calculated from the structures of the monomers.