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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. 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.
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.
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.
NIST Mass Spectral Libraries in the Context of the Circular Economy of Plastics.
Simón-Manso Y, Erisman EP, Mak TD, Burke MC, Zuber A, Yang X, Liang Y, Neta P, Bukhari T, Williams AJ, Young JA, Wickramasekara S, Wallace WE, Stein SE. Simón-Manso Y, et al. Among authors: williams aj. J Am Soc Mass Spectrom. 2025 Jan 3. doi: 10.1021/jasms.4c00349. Online ahead of print. J Am Soc Mass Spectrom. 2025. PMID: 39752563
The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry.
Mohammed Taha H, Aalizadeh R, Alygizakis N, Antignac JP, Arp HPH, Bade R, Baker N, Belova L, Bijlsma L, Bolton EE, Brack W, Celma A, Chen WL, Cheng T, Chirsir P, Čirka Ľ, D'Agostino LA, Djoumbou Feunang Y, Dulio V, Fischer S, Gago-Ferrero P, Galani A, Geueke B, Głowacka N, Glüge J, Groh K, Grosse S, Haglund P, Hakkinen PJ, Hale SE, Hernandez F, Janssen EM, Jonkers T, Kiefer K, Kirchner M, Koschorreck J, Krauss M, Krier J, Lamoree MH, Letzel M, Letzel T, Li Q, Little J, Liu Y, Lunderberg DM, Martin JW, McEachran AD, McLean JA, Meier C, Meijer J, Menger F, Merino C, Muncke J, Muschket M, Neumann M, Neveu V, Ng K, Oberacher H, O'Brien J, Oswald P, Oswaldova M, Picache JA, Postigo C, Ramirez N, Reemtsma T, Renaud J, Rostkowski P, Rüdel H, Salek RM, Samanipour S, Scheringer M, Schliebner I, Schulz W, Schulze T, Sengl M, Shoemaker BA, Sims K, Singer H, Singh RR, Sumarah M, Thiessen PA, Thomas KV, Torres S, Trier X, van Wezel AP, Vermeulen RCH, Vlaanderen JJ, von der Ohe PC, Wang Z, Williams AJ, Willighagen EL, Wishart DS, Zhang J, Thomaidis NS, Hollender J, Slobodnik J, Schymanski EL. Mohammed Taha H, et al. Among authors: williams aj. Environ Sci Eur. 2022;34(1):104. doi: 10.1186/s12302-022-00680-6. Epub 2022 Oct 21. Environ Sci Eur. 2022. PMID: 36284750 Free PMC article.
Factors Contributing to Opioid Overprescribing at Surgical Discharge.
Dayer LE, Peng C, Williams AJ, Luciani L, Lowery J, Butterfield B, Painter JT. Dayer LE, et al. Among authors: williams aj. J Surg Res. 2025 Jan 10;306:224-229. doi: 10.1016/j.jss.2024.11.034. Online ahead of print. J Surg Res. 2025. PMID: 39798409
1,116 results