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Updated: Jul 4, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Uncertainty of water type-specific hazardous copper concentrations derived with biotic ligand models
Martina G Vijver1, Arjan De Koning, Willie J G M Peijnenburg
1Institute of Environmental Sciences (CML), Leiden University, 2300 RA, Leiden, The Netherlands. vijver@cml.leidenuniv.nl
Abstract:
One of the aims of the Water Framework Directive is to derive Europe-wide environmental quality standards that are scientifically based and protective of surface waters. Accounting for water type-specific bioavailability corrections presents challenges and opportunities for metals research. In this study, we present generally applicable approaches for tiered risk assessment of chemicals for prospective use. The objective of the present study was to derive water type-specific dissolved copper criteria for Dutch surface waters. The intent was to show the utility of accounting for bioavailability by using biotic ligand models (BLMs) and two different ways of extrapolating these BLMs in order to obtain reliable bioavailability-corrected species sensitivity distributions. Water type-specific criteria estimations were generated for six different water quality conditions. Average hazard concentrations as calculated using the BLMs and the two alternate normalization scenarios varied significantly among the different water types, from 5.6 to 73.6 microg/L. Water types defined as large rivers, sandy springs, and acid ponds were most sensitive for Cu. Streams and brooks had the highest hazard concentrations. The two different options examined for toxicity data normalization did impact the calculated hazard concentrations for each water type.
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