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The OECD QSAR Toolbox is a computer software designed to make pragmatic qualitative and quantitative structure-activity relationship methods-based predictions of toxicity, including read-across, available to the user in a comprehensible… Click to show full abstract
The OECD QSAR Toolbox is a computer software designed to make pragmatic qualitative and quantitative structure-activity relationship methods-based predictions of toxicity, including read-across, available to the user in a comprehensible and transparent manner. The Toolbox, provide information on chemicals in structure-searchable, standardized files that are associated with chemical and toxicity data to ensure that proper structural analogs can be identified. This chapter describes the advantages of the Toolbox, the aims, approach, and workflow of it, as well as reviews its history. Additionally, key functional elements of it use are explained and features new to Version 4.1 are reported. Lastly, the further development of the Toolbox, likely needed to transform it into a more comprehensive Chemical Management System, is considered.
Journal Title: Methods in molecular biology
Year Published: 2018
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