Revisiting Five Years of CASMI Contests with EPA Identification Tools.

ABSTRACT: Software applications for high resolution mass spectrometry (HRMS)-based non-targeted analysis (NTA) continue to enhance chemical identification capabilities. Given the variety of available applications, determining the most fit-for-purpose tools and workflows can be difficult. The Critical Assessment of Small Molecule Identification (CASMI) contests were initiated in 2012 to provide a means to evaluate compound identification tools on a standardized set of blinded tandem mass spectrometry (MS/MS) data. Five CASMI contests have resulted in recommendations, publications, and invaluable datasets for practitioners of HRMS-based screening studies. The US Environmental Protection Agency's (EPA) CompTox Chemicals Dashboard is now recognized as a valuable resource for compound identification in N

SUBMITTER: McEachran AD 

PROVIDER: S-EPMC7345619 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature