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Updated: Jun 26, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Data ranges in aquatic toxicity of chemicals: Consequences for environmental risk analysis
G Koller1, K Hungerbühler, K Fent
1ETH, Safety and Environmental Technology Group, Swiss Federal Institute of Technology, ETH-Zentrum, CAB C32.5, Universitätsstrasse 6, CH-8092, Zürich, Switzerland. koller@tech.chem.ethz.ch
Abstract:
A significant problem for effect assessment of aquatic ecosystems arises from the large ranges of toxicity data, which can be found in different databases and literature. Here, ranges are given for the aquatic toxicity of 27 high production volume chemicals. Based on these illustrative examples and on the current literature on uncertainty in aquatic effect assessment, toxicity ranges are discussed for their possible causes (variation in experimental condition, species, endpoint, time) and ways to handle them (safety factors). Implications and recommendations on the procedure of risk analysis of chemical substances are drawn. Two main requirements for a comprehensive risk assessment are identified, which often play a minor role in current practice (as they are often neglected) as well as in scientific discussion (as they are meant to be trivial). First, data quality must be checked critically before applying any result of a toxicity test. Secondly, experimental data should take into account different species and acute as well as chronic data. If these aspects are considered in risk analysis, which is common practice in ecotoxicology but not always in the context of practical applications in risk engineering, a more comprehensive picture of the environmental toxicity of a chemical substance can be obtained.
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