Sammour, Denis Abu, et al. “Spatial Probabilistic Mapping of Metabolite Ensembles in Mass Spectrometry Imaging.” bioRxiv (2021).
https://doi.org/10.1101/2021.10.27.466114
Posted: 28 October 2021
Mass spectrometry imaging (MSI) vows to enable simultaneous spatially-resolved investigation of hundreds of metabolites in tissue sections, but it still relies on poorly defined ion images for data interpretation. Here, we outline moleculaR, a computational framework (https://github.com/CeMOS-Mannheim/moleculaR) that introduces probabilistic mapping and point-for-point statistical testing of metabolites in tissue. It enables collective molecular projections and consequently spatially-resolved investigation of ion milieus, lipid pathways or user-defined biomolecular ensembles within the same image.