title: (Q)SARs to predict environmental toxicities: current status and future needs.
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.
authors.affiliation: School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool L3 3AF, England, UK. m.t.cronin@ljmu.ac.uk.
authors.forename: Mark T D
authors.identifier: http://orcid.org/0000-0002-6207-4158
authors.initials: MT
authors.lastname: Cronin
mesh_terms: D000826:Animal Testing Alternatives; D054750:Ecotoxicology / Q000379:methods* / Q000706:statistics & numerical data / Q000639:trends; D004785:Environmental Pollutants / Q000737:chemistry / Q000633:toxicity; D015386:Hazardous Substances / Q000737:chemistry / Q000633:toxicity; D008962:Models, Theoretical; D011237:Predictive Value of Tests; D021281:Quantitative Structure-Activity Relationship
chemical_list: D004785:Environmental Pollutants; D015386:Hazardous Substances