Litcius/Paper detail

Development of quantitative structure-retention relationship models to improve the identification of leachables in food packaging using non-targeted analysis

Ziyun Xu, Hamza Chughtai, Lei Tian, Lan Liu, Jean-François Roy, Stéphane Bayen

2022Talanta16 citationsDOI

Topics & Concepts

ChemistryMolecular descriptorRetention timeSupport vector machineChromatographyOutlierRandom forestFalse positive paradoxBiological systemChemometricsStatisticsArtificial intelligenceQuantitative structure–activity relationshipComputer scienceMathematicsStereochemistryBiologyMicroplastics and Plastic PollutionEffects and risks of endocrine disrupting chemicalsAdvanced Chemical Sensor Technologies
Development of quantitative structure-retention relationship models to improve the identification of leachables in food packaging using non-targeted analysis | Litcius