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Using QSAR and MCA for the Prioritization of Micropollutants Identified in Greywater

Author(s): Levien Melse; Annelie Hedstrom; Fedor Kryuchkov; Roland Kallenborn; Inga Herrmann

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Abstract: Micropollutants need to be monitored in greywater treatment to ensure safe discharge and reuse. However, not all micropollutants can feasibly be monitored. In this study, micropollutants detected in greywater using non-target analysis were prioritized using multicriteria analysis (MCA). Bioaccumulation potential, persistency, and toxicity of the compounds were modelled using Quantitative Structure-Activity Relationship (QSAR) models. A shortlist of twenty micropollutants was developed using this ranking strategy. The relative distribution of micropollutant groups in the shortlist closely reflects that of the full dataset, with most compounds in both lists being fragrances and personal care products.

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Year: 2026

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