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Homologue series detection and management in LC-MS data with homologueDiscoverer.
Mildau K, van der Hooft JJJ, Flasch M, Warth B, El Abiead Y, Koellensperger G, Zanghellini J, Büschl C. Mildau K, et al. Among authors: van der hooft jjj. Bioinformatics. 2022 Nov 15;38(22):5139-5140. doi: 10.1093/bioinformatics/btac647. Bioinformatics. 2022. PMID: 36165687 Free PMC article.
Tailored Mass Spectral Data Exploration Using the SpecXplore Interactive Dashboard.
Mildau K, Ehlers H, Oesterle I, Pristner M, Warth B, Doppler M, Bueschl C, Zanghellini J, van der Hooft JJJ. Mildau K, et al. Among authors: van der hooft jjj. Anal Chem. 2024 Apr 16;96(15):5798-5806. doi: 10.1021/acs.analchem.3c04444. Epub 2024 Apr 2. Anal Chem. 2024. PMID: 38564584 Free PMC article.
Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics.
Bittremieux W, Avalon NE, Thomas SP, Kakhkhorov SA, Aksenov AA, Gomes PWP, Aceves CM, Caraballo-Rodríguez AM, Gauglitz JM, Gerwick WH, Huan T, Jarmusch AK, Kaddurah-Daouk RF, Kang KB, Kim HW, Kondić T, Mannochio-Russo H, Meehan MJ, Melnik AV, Nothias LF, O'Donovan C, Panitchpakdi M, Petras D, Schmid R, Schymanski EL, van der Hooft JJJ, Weldon KC, Yang H, Xing S, Zemlin J, Wang M, Dorrestein PC. Bittremieux W, et al. Among authors: van der hooft jjj. Nat Commun. 2023 Dec 20;14(1):8488. doi: 10.1038/s41467-023-44035-y. Nat Commun. 2023. PMID: 38123557 Free PMC article.
97 results