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Supplementary material for doctoral dissertation: Prediction of Retention and Ionization Behavior of Selected Analytes in Micellar Liquid Chromatography and Mass Spectrometry Using Machine Learning Algorithms
(University of Belgrade - Faculty of Pharmacy, 2023)
Data table for model building.
The data table used for modeling includes the following key components:
1. Chromatographic conditions: The chromatographic conditions encompass parameters such as the concentration of ...
Supplementary material for doctoral dissertation: Prediction of Retention and Ionization Behavior of Selected Analytes in Micellar Liquid Chromatography and Mass Spectrometry Using Machine Learning Algorithms
(University of Belgrade - Faculty of Pharmacy, 2023)
Dataset for mixed QSPR modeling.
The response modeling procedure, which simultaneously considered method parameters, solvent-related descriptors, and structural properties of the analytes, required organizing data into a ...