New features of the QSAR Toolbox version 4.2 include:

  • Now 69 profilers including 12 updated profilers and 5 updated metabolism simulators;
  • Now 55 databases with ~70 000 chemicals and ~2 116 700 data points including 7 updated databases and 5 new databases: Developmental toxicity database (CAESAR), EFSA Food TOX Hazard Database and EFSA genotoxicity database, normalised REACH bioaccumulation data and GARDskin database;
  • Extended substance identification and reintroduction of ability to load txt files containing CAS or SMILES;
  • Clustering by profile/structural similarity and profiling accounting for metabolism;
  • New report generation system;
  • Category consistency check and improved alert performance functionalities;
  • Added a Microsoft Windows Service configuration option for the QSAR Toolbox.

For the complete list of new features please see the release notes.

These build on the new features of version 4.0 (release notes) and 4.1 (release notes) that was launched in April 2017 and in August 2017.

21 September 2017 - A patch for QSAR Toolbox version 4.1 was released to address an installation issue and a few additional bugs.

Download the patch