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Impact of Established and Emerging Software Tools on the Metabolite Identification Landscape

Scientists’ ability to detect drug-related metabolites at trace concentrations has improved over recent decades. High-resolution instruments enable collection of large amounts of raw experimental data. In fact, the quantity of data produced has become a challenge due to effort required to convert ra...

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Principais autores: Anne Marie E. Smith, Kiril Lanevskij, Andrius Sazonovas, Jesse Harris
Format: Artigo
Sprog:Inglês
Udgivet: Frontiers Media S.A. 2022-06-01
Serier:Frontiers in Toxicology
Fag:
metabolite identification
machine learning
computational chemistry
metabolite prediction
analytical data management
Online adgang:https://www.frontiersin.org/articles/10.3389/ftox.2022.932445/full
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