Prediction of pesticide retention time in reversed-phase liquid chromatography using quantitative-structure retention relationship models: A comparative study of seven molecular descriptors datasets.
Sign Up to like & getrecommendations! Published in 2021 at "Chemosphere"
DOI: 10.1016/j.chemosphere.2021.130036
Abstract: Predicting chromatographic retention times of pesticides has become more and more important for suspect and non-target screening. Indeed, high-resolution mass spectrometry hyphenated (HRMS) to liquid chromatography (LC) are of growing interest for research and monitoring… read more here.
Keywords: retention relationship; quantitative structure; molecular descriptors; structure retention ... See more keywords
Quantitative Structure Retention-Relationship Modeling: Towards an Innovative General-Purpose Strategy
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28041696
Abstract: Reversed-Phase Liquid Chromatography (RPLC) is a common liquid chromatographic mode used for the control of pharmaceutical compounds during their drug life cycle. Nevertheless, determining the optimal chromatographic conditions that enable this separation is time consuming… read more here.
Keywords: structure retention; retention relationship; retention; quantitative structure ... See more keywords