QSAR Toolbox
A computational tool that can help group chemicals into categories to fill information gaps without new testing.
The OECD maintains the QSAR Toolbox, which is a computational tool that can help international regulators, the chemical industry, and other stakeholders group chemicals into categories to fill information gaps without new testing. ICAPO has contributed financial and policy support to the development of the toolbox.
The QSAR Toolbox is freely available software that can be used to fill information gaps needed to assess hazards of chemicals. The Toolbox incorporates information and tools from various sources into a logical workflow. Grouping chemicals into chemical categories is crucial to this workflow.
In April 2020, the QSAR Toolbox 4.4.1 was released and is available for free download. In addition to an ADME database, profilers for acute oral toxicity, and 2D parameters for assessing pKa, some of the new features include metadata from ECHA REACH studies in addition to software features aligned with the IUCLID website. For a complete list of the new features, see the Toolbox 4.4.1 Release Notes. For more information about OECD QSAR toolbox related activities and instructions on how to download the software visit the OECD OSAR Toolbox website.