Prediction of chromatographic properties for a group of natural phenolic derivatives by molecular topology

A study was made of the relationship between the R(M) values obtained by thin-layer chromatography for a group of phenols and connectivity indices proposed by Kier and Hall. By using multivariate regression the corresponding connectivity functions were obtained, which were selected based on their respective statistical parameters. Regression analysis of the connectivity functions showed a correct prediction of the experimental elution sequence for this group of molecules using silica gel stationary phases and mobile phases of different polarity. Random and stability studies of the different prediction models selected were carried out, and good stability and null randomness were obtained in all cases.