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A resource to empirically establish drug exposure records directly from untargeted metabolomics data.
Zhao HN, Kvitne KE, Brungs C, Mohan S, Charron-Lamoureux V, Bittremieux W, Tang R, Schmid R, Lamichhane S, Xing S, El Abiead Y, Andalibi MS, Mannochio-Russo H, Ambre M, Avalon NE, Bryant M, Burnett LA, Caraballo-Rodríguez AM, Maya MC, Chin L, Corominas L, Ellis RJ, Franklin D, Girod S, Gomes PWP, Hansen L, Heaton RK, Iudicello JE, Jarmusch AK, Khatib L, Letendre S, Magyari S, McDonald D, Mohanty I, Cumsille A, Moore DJ, Rajkumar P, Ross DH, Sapre H, Shahneh MRZ, Gil-Solsona R, Thomas SP, Tribelhorn C, Tubb HM, Walker C, Wang CX, Zemlin J, Zuffa S, Wishart DS, Gago-Ferrero P, Kaddurah-Daouk R, Wang M, Raffatellu M, Zengler K, Pluskal T, Xu L, Knight R, Tsunoda SM, Dorrestein PC. Zhao HN, et al. Among authors: ross dh. Nat Commun. 2025 Dec 9;16(1):10600. doi: 10.1038/s41467-025-65993-5. Nat Commun. 2025. PMID: 41366203 Free PMC article.
PubChemLite Plus Collision Cross Section (CCS) Values for Enhanced Interpretation of Nontarget Environmental Data.
Elapavalore A, Ross DH, Grouès V, Aurich D, Krinsky AM, Kim S, Thiessen PA, Zhang J, Dodds JN, Baker ES, Bolton EE, Xu L, Schymanski EL. Elapavalore A, et al. Among authors: ross dh. Environ Sci Technol Lett. 2025 Jan 24;12(2):166-174. doi: 10.1021/acs.estlett.4c01003. eCollection 2025 Feb 11. Environ Sci Technol Lett. 2025. PMID: 39957787 Free PMC article.
Introducing "Identification Probability" for Automated and Transferable Assessment of Metabolite Identification Confidence in Metabolomics and Related Studies.
Metz TO, Chang CH, Gautam V, Anjum A, Tian S, Wang F, Colby SM, Nunez JR, Blumer MR, Edison AS, Fiehn O, Jones DP, Li S, Morgan ET, Patti GJ, Ross DH, Shapiro MR, Williams AJ, Wishart DS. Metz TO, et al. Among authors: ross dh. Anal Chem. 2025 Jan 14;97(1):1-11. doi: 10.1021/acs.analchem.4c04060. Epub 2024 Dec 19. Anal Chem. 2025. PMID: 39699939 Free PMC article. Review.
Empirically establishing drug exposure records directly from untargeted metabolomics data.
Zhao HN, Kvitne KE, Brungs C, Mohan S, Charron-Lamoureux V, Bittremieux W, Tang R, Schmid R, Lamichhane S, El Abiead Y, Andalibi MS, Mannochio-Russo H, Ambre M, Avalon NE, Bryant M, Caraballo-Rodríguez AM, Maya MC, Chin L, Ellis RJ, Franklin D, Girod S, Gomes PWP, Hansen L, Heaton R, Iudicello JE, Jarmusch AK, Khatib L, Letendre S, Magyari S, McDonald D, Mohanty I, Cumsille A, Moore DJ, Rajkumar P, Ross DH, Sapre H, Shahneh MRZ, Thomas SP, Tribelhorn C, Tubb HM, Walker C, Wang CX, Xing S, Zemlin J, Zuffa S, Wishart DS, Kaddurah-Daouk R, Wang M, Raffatellu M, Zengler K, Pluskal T, Xu L, Knight R, Tsunoda SM, Dorrestein PC. Zhao HN, et al. Among authors: ross dh. bioRxiv [Preprint]. 2024 Oct 26:2024.10.07.617109. doi: 10.1101/2024.10.07.617109. bioRxiv. 2024. Update in: Nat Commun. 2025 Dec 9;16(1):10600. doi: 10.1038/s41467-025-65993-5. PMID: 39416075 Free PMC article. Updated. Preprint.
100 results