QSAR Toolbox 3.3 now available


The QSAR Toolbox helps companies and authorities to use Quantitative Structure-Activity Relationship ((Q)SAR) methodologies to group chemicals into categories and to fill data gaps by read-across or trend analysis to assess the (eco)toxicity hazards of chemicals to be registered under REACH. This helps to reduce costs and the use of vertebrate animals.

Version 3.3 of the QSAR Toolbox contains many new features and functionality improvements, including:

  • DART (Developmental and Reproductive Toxicity) model developed by P&G as an endpoint specific profiler;
  • Possibility of correlating endpoint vs endpoint in the 2D plot;
  • Inclusion of the ToxCastDB;
  • Saving function available for the whole Toolbox workflow;
  • Possibility to filter chemicals in data gap filling using measured data.

In addition, the QSAR Toolbox 3.3 contains updates of six databases (including ECHA CHEM), new QSAR models for explosive property and phototoxicity calculations, bug fixes and many other usability improvements. 

The export function is now also compatible with the recent version of IUCLID 5.6.

The release is part of a collaborative project between the OECD and ECHA. It can now be downloaded from the QSAR Toolbox project website