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)
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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