Structural Elucidation of Agrochemical Metabolic Transformation Products Based on Infrared Ion Spectroscopy to Improve In Silico Toxicity Assessment

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Authors: Matthias J. A. Vink; Jimmy Alarcan; Jonathan Martens; Wybren Jan Buma; Albert Braeuning; Giel Berden; Jos Oomens

Journal title: Chemical Research in Toxicology

Journal number: 37 (1)

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 81-97

DOI identifier: 10.1021/acs.chemrestox.3c00316

ISSN: 0893-228X