In silico approaches for the prediction of the breakthrough of organic contaminants in wastewater treatment plants

Environ. Sci.: Processes Impacts, 2024, 26,400-410
DOI: 10.1039/D3EM00267E, Paper
Open Access Open Access
Nicola Chirico, Michael S. McLachlan, Zhe Li, Ester Papa
Quantitative structure–property relationships (QSPRs) can be used for the prediction of breakthrough of chemicals from wastewater treatment plants. These QSPRs are simple, interpretable, and checked both for overfitting and chance relationships.
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