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Presented at 2015_EU

Molecular Annotation and Mapping of Big Data from Spatial Metabolomics
Theodore Alexandrov
European Molecular Biology Laboratory

Spatial metabolomics is emerging as a powerful approach to localize hundreds of metabolites directly from sections of biological samples with the grand challenge to be in the molecular annotation of big data generated. Existing bioinformatics tools cannot be applied directly because of the sheer data size and high complexity of spectra. We developed algorithms for molecular annotation for High Resolution Imaging Mass Spectrometry that integrates both spectral and spatial filters and map the results onto metabolic pathways. We will present our efficient implementation using modern big data technologies and apply it to 3D cell spheroids, microbial agar plates, and biological tissues. We will present the European project METASPACE on Bioinformatics for Spatial Metabolomics.

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