R. Garcia-domenech et al., Application of molecular topology to liquid viscosity prediction for a group of organic compounds, J CHIM PHYS, 96(7), 1999, pp. 1172-1185
Molecular Topology has been applied to search for a mathematical model able
to predict liquid viscosity values for an extensive group of organic compo
unds with C, H, O, N, S and halogenous atoms. The topological descriptors w
e have used are the connectivity indices from Kier et Hall -up to fourth or
der-, and the electrotopological indices. Quality of regression equation fi
nally selected has been evaluated by a crossvalidation study.. Viscosity of
ail compounds excepted 1,1,2-trichlorotrifluoro etane is correctly predict
ed by the model proposed.