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The role and choice of molecular descriptors for predicting retention times in HPLC: A comprehensive review

Elena Bandini, Ardiana Kajtazi, Roman Szücs, Frédéric Lynen

2025TrAC Trends in Analytical Chemistry8 citationsDOI

Topics & Concepts

High-performance liquid chromatographyRetention timeChromatographyPsychologyComputer scienceComputational biologyChemistryBiologyAnalytical Chemistry and ChromatographyMetabolomics and Mass Spectrometry StudiesComputational Drug Discovery Methods
The role and choice of molecular descriptors for predicting retention times in HPLC: A comprehensive review | Litcius