Title: The Applicability of Software Tools for Genotoxicity and Carcinogenicity Prediction: Case Studies relevant to the Assessment of Pesticides
Authors: WORTH AndrewLAPENNA SILVIALO PIPARO ELENAMOSTRAG-SZLICHTYNG A.SERAFIMOVA ROSITSA
Publisher: Publications Office of the European Union
Publication Year: 2010
JRC Publication N°: JRC62109
ISBN: 978-92-79-18762-9
ISSN: 1018-5593
Other Identifiers: EUR 24640 EN
OPOCE LB-NA-24640-EN-C
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC62109
DOI: 10.2788/61485
Type: EUR - Scientific and Technical Research Reports
Abstract: This report presents research results obtained in the framework of a project on the Applicability of Quantitative Structure-Activity Relationship (QSAR) analysis in the evaluation of the toxicological relevance of metabolites and degradates of pesticide active substances. During this project, which was funded by the European Food Safety Authority (EFSA), the Joint Research Centre (JRC) performed several investigations to evaluate the comparative performance of selected software tools for genotoxicity and carcinogenicity prediction, and to develop a number of case studies to illustrate the opportunities and difficulties arising in the computational assessment of pesticides. This exercise also included an investigation of the chemical space of several pesticides datasets. The results indicate that different software tools have different advantages and disadvantages, depending on the specific requirements of the user / risk assessor. It is concluded that further work is needed to develop acceptance criteria for specific regulatory applications (e.g. evaluation of pesticide metabolites) and to develop batteries of models fulfilling such criteria.
JRC Institute:Institute for Health and Consumer Protection

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