Calculation of chromatographic properties of barbiturates by molecular topology
Calculation of chromatographic properties of barbiturates by molecular topology
Salabert-Salvador, M.; García-March, F.; Pérez-Giménez, F.; Antón-Fos, G.; Cercós-del-Pozo, R.; Jaén-Oltra, J.
1995-12-01 00:00:00
A study has been made of the relationship between the R F values obtained by thin layer chromatography for a group of barbiturates and the connectivity indices proposed by Kier and Hall. By using multivariable regression 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 molecules on silicagel with two mobile phases of different polarity. The corresponding random and stability studies of the different prediction models selected were carried out, demonstrating good stability and null randomness in all cases. The results also demonstrated that different structural features determine the R F values in TLC of barbiturates.
http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.pngChromatographiaSpringer Journalshttp://www.deepdyve.com/lp/springer-journals/calculation-of-chromatographic-properties-of-barbiturates-by-molecular-h0xi3Z5lo2
Calculation of chromatographic properties of barbiturates by molecular topology
A study has been made of the relationship between the R F values obtained by thin layer chromatography for a group of barbiturates and the connectivity indices proposed by Kier and Hall. By using multivariable regression 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 molecules on silicagel with two mobile phases of different polarity. The corresponding random and stability studies of the different prediction models selected were carried out, demonstrating good stability and null randomness in all cases. The results also demonstrated that different structural features determine the R F values in TLC of barbiturates.
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