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Issue 3, 2017
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(Q)SARs to predict environmental toxicities: current status and future needs

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Abstract

The current state of the art of (Quantitative) Structure–Activity Relationships ((Q)SARs) to predict environmental toxicity is assessed along with recommendations to develop these models further. The acute toxicity of compounds acting by the non-polar narcotic mechanism of action can be well predicted, however other approaches, including read-across, may be required for compounds acting by specific mechanisms of action. The chronic toxicity of compounds to environmental species is more difficult to predict from (Q)SARs, with robust data sets and more mechanistic information required. In addition, the toxicity of mixtures is little addressed by (Q)SAR approaches. Developments in environmental toxicology including Adverse Outcome Pathways (AOPs) and omics responses should be utilised to develop better, more mechanistically relevant, (Q)SAR models.

Graphical abstract: (Q)SARs to predict environmental toxicities: current status and future needs

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Publication details

The article was received on 19 Dec 2016, accepted on 16 Feb 2017 and first published on 17 Feb 2017


Article type: Perspective
DOI: 10.1039/C6EM00687F
Citation: Environ. Sci.: Processes Impacts, 2017,19, 213-220
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    (Q)SARs to predict environmental toxicities: current status and future needs

    M. T. D. Cronin, Environ. Sci.: Processes Impacts, 2017, 19, 213
    DOI: 10.1039/C6EM00687F

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