patRoon 2.0: Improved non-target analysis workflowsincluding automated transformation product screening
Rick Helmus, Bas van de Velde, Andrea M. Brunner, Thomas L. ter Laak, Annemarie P. van Wezel, Emma Schymanski
Abstract
Helmus et al., (2022). patRoon 2.0: Improved non-target analysis workflows including automated transformation product screening. Journal of Open Source Software, 7(71), 4029, https://doi.org/10.21105/joss.04029
Topics & Concepts
WorkflowTransformation (genetics)Computer scienceSoftwareOpen sourceProduct (mathematics)Software engineeringProgramming languageDatabaseChemistryBiochemistryGeneMathematicsGeometryHealth, Environment, Cognitive AgingMetabolomics and Mass Spectrometry StudiesCell Image Analysis Techniques