The OECD QSAR Toolbox Starts Its Second Decade
Computational Toxicology. Methods in Molecular Biology, vol 1800 (2018) 55-77
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.