Computational prediction of the metabolites of agrochemicals formed in rats.

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Title: Computational prediction of the metabolites of agrochemicals formed in rats.
Authors: Scholz VA; Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria; Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences (PhaNuSpo), University of Vienna, 1090 Vienna, Austria., Stork C; BASF SE, 67056 Ludwigshafen am Rhein, Germany., Frericks M; BASF SE, 67056 Ludwigshafen am Rhein, Germany., Kirchmair J; Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria; Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department for Pharmaceutical Sciences, University of Vienna, 1090 Vienna, Austria. Electronic address: johannes.kirchmair@univie.ac.at.
Source: The Science of the total environment [Sci Total Environ] 2023 Oct 15; Vol. 895, pp. 165039. Date of Electronic Publication: 2023 Jun 22.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 0330500 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-1026 (Electronic) Linking ISSN: 00489697 NLM ISO Abbreviation: Sci Total Environ Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Scholz+VA%22">Scholz VA</searchLink>; Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria; Vienna Doctoral School of Pharmaceutical, Nutritional and Sport Sciences (PhaNuSpo), University of Vienna, 1090 Vienna, Austria.<br /><searchLink fieldCode="AU" term="%22Stork+C%22">Stork C</searchLink>; BASF SE, 67056 Ludwigshafen am Rhein, Germany.<br /><searchLink fieldCode="AU" term="%22Frericks+M%22">Frericks M</searchLink>; BASF SE, 67056 Ludwigshafen am Rhein, Germany.<br /><searchLink fieldCode="AU" term="%22Kirchmair+J%22">Kirchmair J</searchLink>; Department of Pharmaceutical Sciences, Division of Pharmaceutical Chemistry, University of Vienna, Josef-Holaubek-Platz 2, 1090 Vienna, Austria; Christian Doppler Laboratory for Molecular Informatics in the Biosciences, Department for Pharmaceutical Sciences, University of Vienna, 1090 Vienna, Austria. Electronic address: johannes.kirchmair@univie.ac.at.
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              Text: 2023 Oct 15
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