Open AccessChemometric estimation of the retention behavior of selected estradiol derivatives
Author(s) -
Milica Karadžić Banjac,
Davor M. Lončar,
Lidija R. Jevrić,
Sanja Podunavac-Kuzmаnоvić,
Strаhinjа Kоvаčеvić,
Stela Jokić
Publication year - 2015
Publication title -
acta periodica technologica
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.134
H-Index - 15
eISSN - 2406-095X
pISSN - 1450-7188
DOI - 10.2298/apt1546219k
Subject(s) - lipophilicity , molecular descriptor , retention time , linear regression , statistical analysis , chemistry , chromatography , regression analysis , quantitative structure–activity relationship , regression , statistical hypothesis testing , mathematics , statistics , biological system , stereochemistry , biology
Quantitative structure-retention relationship (QSRR) analysis has been performed in order to correlate the retention of selected estradiol derivatives with their calculated molecular lipophilicity. The lipophilicity descriptors were derived computationally and most important were selected. Linear regression (LR) Wad used for model establishing. Statistical quality of the generated models was determined by standard statistical and crossvalidation statistical parameters. Statistically significant and physically meaningful models were obtained. The prediction results are very well correlated with the experimentally observed data. Given predictive ability of the established models indicates that they could be used for predicting the chromatographic behavior of the similar molecules in normal-phase high-performance thin-layer chromatography. [Projekat Ministarstva nauke Republike Srbije, br. 172012, br. 172014 i br. 31055
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