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Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action.

Ellison, CM and Piechota, P and Madden, JC and Enoch, SJ and Cronin, MTD (2016) Adverse Outcome Pathway (AOP) Informed Modeling of Aquatic Toxicology: QSARs, Read-Across, and Interspecies Verification of Modes of Action. Environmental Science & Technology. ISSN 1520-5851

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Abstract

Alternative approaches have been promoted to reduce the number of vertebrate and invertebrate animals required for the assessment of the potential of compounds to cause harm to the aquatic environment. A key philosophy in the development of alternatives is a greater understanding of the relevant adverse outcome pathway (AOP). One alternative method is the fish embryo toxicity (FET) assay. Although the trends in potency have been shown to be equivalent in embryo and adult assays, a detailed mechanistic analysis of the toxicity data has yet to be performed; such analysis is vital for a full understanding of the AOP. The research presented herein used an updated implementation of the Verhaar scheme to categorize compounds into AOP-informed categories. These were then used in mechanistic (quantitative) structure-activity relationship ((Q)SAR) analysis to show that the descriptors governing the distinct mechanisms of acute fish toxicity are capable of modeling data from the FET assay. The results show that compounds do appear to exhibit the same mechanisms of toxicity across life stages. Thus, this mechanistic analysis supports the argument that the FET assay is a suitable alternative testing strategy for the specified mechanisms and that understanding the AOPs is useful for toxicity prediction across test systems.

Item Type: Article
Uncontrolled Keywords: MD Multidisciplinary
Subjects: Q Science > QH Natural history > QH301 Biology
Q Science > QL Zoology
R Medicine > RA Public aspects of medicine > RA1190 Toxicology. Poisions
Divisions: Pharmacy & Biomolecular Sciences
Publisher: American Chemical Society
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Date Deposited: 21 Mar 2016 10:10
Last Modified: 18 Feb 2017 00:50
DOI or Identification number: 10.1021/acs.est.5b05918
URI: http://researchonline.ljmu.ac.uk/id/eprint/3298

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