A protocol to select high quality datasets of ecotoxicity values for pesticides.
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.
Laboratory of Environmental Toxicology and Chemistry, Department of Environmental Health Sciences, Istituto di Ricerche Farmacologiche Mario Negri, Milano, Italy.
Alessandra
A
Roncaglioni
Emilio
E
Benfenati
Elena
E
Boriani
Mark
M
Clook
D000818:Animals; D003625:Data Collection / Q000592:standards*; D023381:Endpoint Determination; D004785:Environmental Pollutants / Q000633:toxicity*; D007928:Lethal Dose 50; D008962:Models, Theoretical; D017686:Oncorhynchus mykiss; D010575:Pesticides / Q000633:toxicity*; D021281:Quantitative Structure-Activity Relationship; D015203:Reproducibility of Results; D018570:Risk Assessment
D004785:Environmental Pollutants; D010575:Pesticides