Prediction of chromatographic properties of organophosphorus insecticides by molecular connectivity

A study is reported of the relationship between the RF values for a group o f organophosphorus insecticides obtained by thin layer chromatography and a series of topological descriptors. By using multivariate regression, the c orresponding connectivity functions were obtained, which had been selected on the basis of their respective statistical parameters: multiple correlati on coefficient (r), standard error of estimate (s), F-Snedecor values and s tatistical significance (Student's t). Regression analysis of the connectiv ity 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 o ut and yielded good stability in all cases. These results demonstrate the a bility of Molecular Topology to identify and predict different structural f eatures that determine the RF values of organophosphorus insecticides obtai ned by TLC.