The hitchhiker's guide to dynamic ion–solvent clustering: applications in differential ion mobility spectrometry
Christian Ieritano, W. Scott Hopkins
Abstract
, charge-dipole) follow well-defined trends with respect to DMS clustering behaviour. Finally, we describe how supervised machine learning can be used to create predictive models of molecular properties using DMS data. We additionally highlight open questions in the field and provide our perspective on future directions that can be explored.
Topics & Concepts
Ion-mobility spectrometryCluster analysisChemistryIonMass spectrometryComputer scienceChromatographyMachine learningOrganic chemistryMass Spectrometry Techniques and ApplicationsAnalytical Chemistry and ChromatographyIon-surface interactions and analysis