Photoinduced Degradation of Three Azole Compounds from 3rd Eu Watchlist Monitored by High-Resolution Higher-Order Mass Spectrometry – Part Ii A Critical in Silico Ecotoxicity Assessment and Application of Ecotoxicity Equivalents

SSRN Electronic Journal(2022)

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摘要
•Ecotoxicity of azole fungicides and their photoinduced transformation products were assessed by in silico QSAR.•In silico QSAR analysis used for ecotoxicological prediction was critically discussed.•Time-dependent ecotoxicity equivalents (ETEs) were used to describe time-course of potential ecotoxicological hazard.•ETEs allowed evaluation of AOP efficiency.
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关键词
Ecotoxicology,3rd EU watchlist,ECOSAR,AOPs,LC-HR-MS/MS,Ecotoxicity-equivalents
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