MODELLING OF DIFFERENT CHROMATOGRAPHIC SYSTEMS WITH CHEMOMETRICAL APPROACH IN PHARMACEUTICAL ANALYSIS

The modern pharmaceutical analysis involves many steps with the aim to see the investigated substances from different points of view. Thus, new drug substances and their chromatographic properties will be analyzed using appropriate descriptors. For this purpose, the quantitative structure retention relationship (QSRR) studies will be done as they will enable the prediction of retention properties for other new drug substances. Retention prediction models will be developed employing a multiple regression analysis (MRA) and artificial neural network (ANN). Certain substances will be analyzed using a different chromatographic system (RP–HPLC, HILIC –hydrophilic interaction chromatography, MLC – micellar liquid chromatography, HSC – high submicellar chromatography, MELC – microemulsion liquid chromatography, etc.). In this part of the study, all possible degradation pathways will be investigated and all impurities will be analysed. In order to disclose and avoid possible problems chemometrics will be used and optimized. The optimized method will be subjected to the method validation and applied to real pharmaceutical samples. Also, for these substances and their metabolites the investigation procedure of biological samples will be proposed. Depending on the type of analysis and requirements a distinct and appropriate detection will be included. A mass detector as one of the most sensitive will be employed for degradation profiling and the analysis of biological samples.