OffsampleAI: artificial intelligence approach to recognize off-sample mass spectrometry images.

Journal: BMC bioinformatics
Published Date:

Abstract

BACKGROUND: Imaging mass spectrometry (imaging MS) is an enabling technology for spatial metabolomics of tissue sections with rapidly growing areas of applications in biology and medicine. However, imaging MS data is polluted with off-sample ions caused by sample preparation, particularly by the MALDI (matrix-assisted laser desorption/ionization) matrix application. Off-sample ion images confound and hinder statistical analysis, metabolite identification and downstream analysis with no automated solutions available.

Authors

  • Katja Ovchinnikova
    Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany.
  • Vitaly Kovalev
    Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany.
  • Lachlan Stuart
    Structural and Computational Biology Unit, European Molecular Biology Laboratory, Heidelberg, Germany.
  • Theodore Alexandrov
    Structural and Computational Biology Unit, European Molecular Biology Laboratory, 69117 Heidelberg, Germany.