ENTROPY PREDICTION OF BENZENE DERIVATIVES USING TOPOLOGICAL INDICES

In this study, a QSPR study relating topological indices to the entropy of 69 benzene derivatives is reported. The entropy values were calculated at HF level of theory (6-31 G basis sets) by Gussian 98. Multiple linear regression (MLR) provided good models with three to seven independent variables. The best model obtained is based on three descriptors: Randic, Wiener and Szeged topological indices