ArticleAnalytical chemistry2025
Prioritizing Chemical Candidates from Non-targeted Analysis Using Metadata, Spectral Similarity, and Hazard Scoring within INTERPRET NTA.
Alex Chao, Jeffrey M Minucci, Troy M Ferland, E Tyler Carr, Greg Janesch, Safia Rizwan, Heather D Whitehead, Tommy Cathey, Shirley Pu, Laura D Brunelle and 3 more
Abstract read
In one paragraphArticle in Analytical chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
0numbers the graph read from it
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0citing papers in PubMed
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What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
2 · The registryThe trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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3 · Its place in the literatureWho cites it
0 citing papers in PubMed.
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4 · The recordCorrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
5 · Who and what moneyAuthors and funding
13 authors.
Alex ChaoUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.ORCID 0000-0002-7914-3623 Jeffrey M MinucciUnited States Environmental Protection Agency, Office of Research and Development, Center for Public Health and Environmental Assessment, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.ORCID 0000-0001-5571-2599 Troy M FerlandUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.ORCID 0000-0003-0558-5311 E Tyler CarrUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.ORCID 0009-0004-1352-0336 Greg JaneschUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.
Safia RizwanUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.
Heather D WhiteheadUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.ORCID 0000-0003-1817-604X Tommy CatheyGeneral Dynamics Information Technology, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.
Shirley PuUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.
Laura D BrunelleOak Ridge Institute for Science and Education (ORISE) Participant, Oak Ridge, Tennessee 37831, United States.
Angela L BattUnited States Environmental Protection Agency, Office of Research and Development, Center for Environmental Solutions and Emergency Response, 26 W Martin Luther King Drive, Cincinnati, Ohio 45268, United States.ORCID 0000-0002-7008-249X Jon R SobusUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.
Antony J WilliamsUnited States Environmental Protection Agency, Office of Research and Development, Center for Computational Toxicology and Exposure, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.ORCID 0000-0002-2668-4821 Funding
Intramural EPA EPA999999
6 · The paper itselfAbstract
New approach methodologies like non-targeted analysis (NTA) are increasingly relevant for identifying and monitoring emerging contaminants. Utilizing high-resolution mass spectrometry (HRMS), NTA methods can detect and annotate chemicals without prior knowledge. Yet, NTA results often have associated uncertainties owing, in part, to a lack of standardized methods. To address this challenge, the US Environmental Protection Agency (US EPA) developed the
Identifiers
PMID40670324
PMCPMC13370747
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