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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.
Mistle: bringing spectral library predictions to metaproteomics with an efficient search index.
Nowatzky Y, Benner P, Reinert K, Muth T.
Nowatzky Y, et al.
Bioinformatics. 2023 Jun 1;39(6):btad376. doi: 10.1093/bioinformatics/btad376.
Bioinformatics. 2023.
PMID: 37294786
Free PMC article.
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