MetaClean: a machine learning-based classifier for reduced false positive peak detection in untargeted LC-MS metabolomics data.

Kelsey ChetnikLauren M PetrickGaurav Pandey

Published in: Metabolomics : Official journal of the Metabolomic Society (2020)

Our work represents an important step forward in developing an automated tool for filtering out unreliable peak integrations in untargeted LC-MS metabolomics data.

Keyphrases

mass spectrometry
machine learning
big data
electronic health record
liquid chromatography
high resolution mass spectrometry
artificial intelligence
gas chromatography mass spectrometry
gas chromatography
deep learning
data analysis
label free
loop mediated isothermal amplification
tandem mass spectrometry