CALCULATION OF CHROMATOGRAPHIC PROPERTIES OF BARBITURATES BY MOLECULAR TOPOLOGY

A study has been made of the relationship between the RF values obtain ed by thin layer chromatography for a group of barbiturates and the co nnectivity indices proposed by Kier and Hall. By using multivariable r egression we obtained the corresponding connectivity functions, which were selected on the basis of their respective statistics parameters. The regression analysis of the connectivity functions shows a correct prediction of the experimental elution sequence for this group of mole cules on silicagel with two mobile phases of different polarity The co rresponding random and stability studies of the different prediction m odels selected were carried out, demonstrating good stability and null randomness in all cases. The results also demonstrated that different structural features determine the RF values in TLC of barbiturates.