The update to the QSAR Toolbox integrates data from REACH registrations up to November 2018, including data from the last REACH registration deadline for low production volume substances.

More data has been made available particularly on aquatic toxicity, sensitisation, and irritation and corrosion, which will help governments, industry and stakeholders to fill in data gaps for assessing chemical hazards.

Crucial to this work is the grouping of chemicals into categories. The update makes more tools available to support how analogues and chemical categories are defined, including:

• a database on adsorption, distribution, metabolism and elimination (ADME) properties and related profilers that can be used to support the development of category hypotheses;
• 159 new (Q)SAR models; and
• a (Q)SAR editor that makes it possible to edit, import and create custom profilers and custom (Q)SAR models by linking to an external computational platform.

Software developers can now build their own extensions for the toolbox, or integrate toolbox functionalities in their own software thanks to the addition of an application program interface (API). Together with the release of this version, a completely redesigned website of the QSAR Toolbox is now also online.

 Click here for more on the QSAR Toolbox