Title: Review of Software Tools for Toxicity Prediction
Authors: FUART GATNIK MojcaWORTH Andrew
Publisher: Publications Office of the European Union
Publication Year: 2010
JRC N°: JRC59685
ISBN: 978-92-79-16395-1
ISSN: 1018-5593
Other Identifiers: EUR 24489 EN
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC59685
DOI: 10.2788/60101
Type: EUR - Scientific and Technical Research Reports
Abstract: When assessing the properties of chemicals, the easiest and most consistent way of applying (Quantitative) Structure-Activity Relationship ([Q]SAR) models is to use ready-made software that implements the models via a user-friendly interface. A wide range of software tools are available for predicting physicochemical properties, toxicological endpoints and other biological effects, as well as fate in the environment and biological organisms. Typically, a given software package predicts multiple properties and endpoints, and some are extensible, allowing the user to develop new models or include new knowledge. In addition to (Q)SAR models and rulebases that are incorporated in software tools, there is a growing scientific literature which reports thousands of (Q)SARs. In this report, we give an overview of the software packages that are commonly used in the assessment of chemical toxicity. These software packages are potentially useful in the hazard and risk assessment of chemicals, including for regulatory purposes. However, the applicability of any given software tool needs to be carefully evaluated and documented.
JRC Directorate:Institute for Health and Consumer Protection Historical Collection

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