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 i ndices proposed by Kier and Hall. By using multivariate regression the corresponding connectivity functions were obtained, which were select ed based on their respective statistical parameters. Regression analys is of the connectivity functions showed a correct prediction of the ex perimental elution sequence for this group of molecules using silica g el stationary phases and mobile phases of different polarity. Random a nd stability studies of the different prediction models selected were carried out, and good stability and null randomness were obtained in a ll cases.