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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: williams aj. Anal Chem. 2024 Dec 19. doi: 10.1021/acs.analchem.4c04060. Online ahead of print. Anal Chem. 2024. PMID: 39699939 Review.
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: williams aj. bioRxiv [Preprint]. 2024 Jul 31:2024.07.30.605945. doi: 10.1101/2024.07.30.605945. bioRxiv. 2024. Update in: Anal Chem. 2024 Dec 19. doi: 10.1021/acs.analchem.4c04060 PMID: 39131324 Free PMC article. Updated. Preprint.
Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool.
Black G, Lowe C, Anumol T, Bade J, Favela K, Feng YL, Knolhoff A, Mceachran A, Nuñez J, Fisher C, Peter K, Quinete NS, Sobus J, Sussman E, Watson W, Wickramasekara S, Williams A, Young T. Black G, et al. Anal Bioanal Chem. 2023 Jan;415(1):35-44. doi: 10.1007/s00216-022-04434-4. Epub 2022 Nov 26. Anal Bioanal Chem. 2023. PMID: 36435841 Free PMC article.
An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group.
Place BJ, Ulrich EM, Challis JK, Chao A, Du B, Favela K, Feng YL, Fisher CM, Gardinali P, Hood A, Knolhoff AM, McEachran AD, Nason SL, Newton SR, Ng B, Nuñez J, Peter KT, Phillips AL, Quinete N, Renslow R, Sobus JR, Sussman EM, Warth B, Wickramasekara S, Williams AJ. Place BJ, et al. Among authors: williams aj. Anal Chem. 2021 Dec 14;93(49):16289-16296. doi: 10.1021/acs.analchem.1c02660. Epub 2021 Nov 29. Anal Chem. 2021. PMID: 34842413 Free PMC article.
Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening.
Aalizadeh R, Alygizakis NA, Schymanski EL, Krauss M, Schulze T, Ibáñez M, McEachran AD, Chao A, Williams AJ, Gago-Ferrero P, Covaci A, Moschet C, Young TM, Hollender J, Slobodnik J, Thomaidis NS. Aalizadeh R, et al. Among authors: williams aj. Anal Chem. 2021 Aug 24;93(33):11601-11611. doi: 10.1021/acs.analchem.1c02348. Epub 2021 Aug 12. Anal Chem. 2021. PMID: 34382770
1,113 results