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Current state-of-the-art of separation methods used in LC-MS based metabolomics and lipidomics.
J Chromatogr B Analyt Technol Biomed Life Sci. 2022 Jan 1;1188:123069. doi: 10.1016/j.jchromb.2021.123069. Epub 2021 Nov 27.
J Chromatogr B Analyt Technol Biomed Life Sci. 2022.
PMID: 34879285
Review.
Taxonomic classification of DNA sequences beyond sequence similarity using deep neural networks.
Mock F, Kretschmer F, Kriese A, Böcker S, Marz M.
Mock F, et al. Among authors: kretschmer f.
Proc Natl Acad Sci U S A. 2022 Aug 30;119(35):e2122636119. doi: 10.1073/pnas.2122636119. Epub 2022 Aug 26.
Proc Natl Acad Sci U S A. 2022.
PMID: 36018838
Free PMC article.
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Critical assessment of chromatographic metadata in publicly available metabolomics data repositories.
Harrieder EM, Kretschmer F, Dunn W, Böcker S, Witting M.
Harrieder EM, et al. Among authors: kretschmer f.
Metabolomics. 2022 Nov 27;18(12):97. doi: 10.1007/s11306-022-01956-x.
Metabolomics. 2022.
PMID: 36436113
Free PMC article.
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RepoRT: a comprehensive repository for small molecule retention times.
Kretschmer F, Harrieder EM, Hoffmann MA, Böcker S, Witting M.
Kretschmer F, et al.
Nat Methods. 2024 Feb;21(2):153-155. doi: 10.1038/s41592-023-02143-z.
Nat Methods. 2024.
PMID: 38191934
No abstract available.
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MAD HATTER Correctly Annotates 98% of Small Molecule Tandem Mass Spectra Searching in PubChem.
Hoffmann MA, Kretschmer F, Ludwig M, Böcker S.
Hoffmann MA, et al. Among authors: kretschmer f.
Metabolites. 2023 Feb 21;13(3):314. doi: 10.3390/metabo13030314.
Metabolites. 2023.
PMID: 36984753
Free PMC article.
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