Prediction of chromatographic properties of organophosphorus insecticides by molecular connectivity

A study is reported of the relationship between the RF values for a group of organophosphorus insecticides obtained by thin layer chromatography and a series of topological descriptors. By using multivariate regression, the corresponding connectivity functions were obtained, which had been selected on the basis of their respective statistical parameters: multiple correlation coefficient (r), standard error of estimate (s), F-Snedecor values and statistical significance (Student's t). Regression analysis of the connectivity functions can predict the elution behaviour of any structurally similar derivative of this group of compounds with different stationary and mobile phases. Stability studies of the prediction models selected were carried out and yielded good stability in all cases. These results demonstrate the ability of Molecular Topology to identify and predict different structural features that determine the RF values of organophosphorus insecticides obtained by TLC.