A protocol to select high quality datasets of ecotoxicity values for pesticides

Alessandra Roncaglioni, Emilio Benfenati, Elena Boriani, Mark Clook

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

The key to any QSAR model is the underlying dataset. In order to construct a reliable dataset to develop a QSAR model for pesticide toxicity, we have derived a protocol to critically evaluate the quality of the underlying data. In developing an appropriate protocol that would enable data to be selected in constructing a QSAR, we concentrated on one toxicity end point, the 96 h LC50 from the acute rainbow trout study. This end point is key in pesticide regulation carried out under 91/414/EEC. The dataset used for this exercise was from the US EPA-OPP database.

Original languageEnglish
Pages (from-to)641-652
Number of pages12
JournalJournal of Environmental Science and Health - Part B Pesticides, Food Contaminants, and Agricultural Wastes
Volume39
Issue number4
DOIs
Publication statusPublished - 2004

Fingerprint

ecotoxicology
Quantitative Structure-Activity Relationship
Pesticides
Toxicity
pesticides
pesticide
toxicity
United States Environmental Protection Agency
lethal concentration 50
Oncorhynchus mykiss
exercise
European Union
rainbow
Databases
Datasets
ecotoxicity
protocol
4-(2-oxapentadeca-4-yne)phenylpropanoic acid

Keywords

  • Pesticide
  • Toxicity values
  • Trout
  • Variability

ASJC Scopus subject areas

  • Environmental Science(all)
  • Environmental Chemistry
  • Waste Management and Disposal
  • Public Health, Environmental and Occupational Health

Cite this

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AU - Roncaglioni, Alessandra

AU - Benfenati, Emilio

AU - Boriani, Elena

AU - Clook, Mark

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AB - The key to any QSAR model is the underlying dataset. In order to construct a reliable dataset to develop a QSAR model for pesticide toxicity, we have derived a protocol to critically evaluate the quality of the underlying data. In developing an appropriate protocol that would enable data to be selected in constructing a QSAR, we concentrated on one toxicity end point, the 96 h LC50 from the acute rainbow trout study. This end point is key in pesticide regulation carried out under 91/414/EEC. The dataset used for this exercise was from the US EPA-OPP database.

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KW - Variability

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