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