QSARs for regulatory purposes: The case for pesticide authorization

Emilio Benfenati, Mark Clook, Steven Fryday, Andy Hart

Research output: Chapter in Book/Report/Conference proceedingChapter


The risk to the environment covers the fate and behavior of an active substance (AS), as well as its possible effects to nontarget organisms. Currently, the initial first tier assessment uses standard toxicity studies. It can also be seen that if concern is raised-a regulatory trigger is breached-higher tier data are requested. These may either address the effects or exposure elements of the risk assessment. In an assessment, there is a consideration of the number of formulation studies conducted and hence submitted. It is not intended that quantitative structure-activity relationships (QSARs) should be able to predict the toxicity of a formulation. The information on formulations was included to indicate the number of studies that may be submitted to address a specific Annex point through the use of toxicity studies. If a QSAR is developed that predicts the toxicity of the AS, then it may be possible to use this information to determine the toxicity of simple formulations. It is not proposed that formulation studies are used in the development of a QSAR, unless it can be clearly demonstrated that the coformulants have not affected the toxicity of the AS. Studies on QSARs for toxicological end points are numerous and tend to give satisfactory results for industrial chemicals, although studies on pesticides give more variable results. A brief overview of how QSARs are used in various regulatory bodies is provided.

Original languageEnglish
Title of host publicationQuantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes
Number of pages57
ISBN (Print)9780444527103
Publication statusPublished - 2007

ASJC Scopus subject areas

  • Agricultural and Biological Sciences(all)

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  • Cite this

    Benfenati, E., Clook, M., Fryday, S., & Hart, A. (2007). QSARs for regulatory purposes: The case for pesticide authorization. In Quantitative Structure-Activity Relationships (QSAR) for Pesticide Regulatory Purposes (pp. 1-57). Elsevier. https://doi.org/10.1016/B978-044452710-3/50003-3