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Quantitative structure retention relationship (QSRR) modelling for Analytes' retention prediction in LC-HRMS by applying different Machine Learning algorithms and evaluating their performance.
Liapikos T, Zisi C, Kodra D, Kademoglou K, Diamantidou D, Begou O, Pappa-Louisi A, Theodoridis G. Liapikos T, et al. J Chromatogr B Analyt Technol Biomed Life Sci. 2022 Feb 15;1191:123132. doi: 10.1016/j.jchromb.2022.123132. Epub 2022 Jan 19. J Chromatogr B Analyt Technol Biomed Life Sci. 2022. PMID: 35093854
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