Machine learning methods for compound annotation in non-targeted mass spectrometry-A brief overview of fingerprinting, in silico fragmentation and de novo methods.
Rapid Commun Mass Spectrom. 2024 Oct 30;38(20):e9876. doi: 10.1002/rcm.9876.
Rapid Commun Mass Spectrom. 2024.
PMID: 39180507
Review.