Abstract:Using the best subset regression technique,the quantitative structure-retention relationships(QSRR) of 35 organophosphate compounds on three different polar stationaries were established with topological indices as structural descriptors.All three QSRR models had good calibration ability.The cross-validation and external-validation showed that the corresponding QSRR model had strong predictive power.Monte Carlo simulation on R2,SE and coefficients of different QSRR models demonstrated that Monte Carlo method can be used to analyze the robustness of QSRR models.