Introducing “Identification Probability” for Automated and Transferable Assessment of Metabolite Identification Confidence in Metabolomics and Related Studies

Methods for assessing compound identification confidence in metabolomics and related studies have been debated and actively researched for the past two decades. The earliest effort in 2007 focused primarily on mass spectrometry and nuclear magnetic resonance spectroscopy and resulted in four recomme...

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المؤلف الرئيسي:	Thomas O. Metz (176016) (author)
مؤلفون آخرون:	Christine H. Chang (10893065) (author), Vasuk Gautam (16007755) (author), Afia Anjum (20454406) (author), Siyang Tian (5234429) (author), Fei Wang (19534) (author), Sean M. Colby (5827871) (author), Jamie R. Nunez (11766599) (author), Madison R. Blumer (12425368) (author), Arthur S. Edison (159894) (author), Oliver Fiehn (17098) (author), Dean P. Jones (180039) (author), Shuzhao Li (180028) (author), Edward T. Morgan (20454409) (author), Gary J. Patti (1306476) (author), Dylan H. Ross (4382326) (author), Madelyn R. Shapiro (19930306) (author), Antony J. Williams (132578) (author), David S. Wishart (5821) (author)
منشور في:	2024
الموضوعات:	Biochemistry Medicine Sociology Environmental Sciences not elsewhere classified Biological Sciences not elsewhere classified Mathematical Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified retention time accuracy past two decades metabolite standards initiative including two sublevels current preferred methods computational property predictions 2007 focused primarily ion mobility spectrometry defined measurement precision identification points schema four recommended levels metabolite identification confidence related studies methods human metabolome database example mass measurement compound identification confidence original msi levels neither qualitative levels identification confidence related studies mass spectrometry identification levels compound identification defined simply identification probability five levels compound identifications transparent implementation silico </ provide guidance n </ facilitate communication earliest effort developed based chemical space analytical platforms alternate approaches actively researched accommodate use 1 /<
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Introducing “Identification Probability” for Automated and Transferable Assessment of Metabolite Identification Confidence in Metabolomics and Related Studies

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