OECD launches the QSAR Toolbox version 4.2

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OECD launches the QSAR Toolbox version 4.2

The EHS Hazard Assessment programme is actively working to increase the regulatory acceptance of QSARs methods, tools and approaches such as the QSAR Toolbox and to make these technologies more accessible and transparent.

The QSAR toolbox is a software application intended to the use of governments, chemical industry and other stakeholders in filling gaps in (eco)toxicity data needed for assessing the hazards of chemicals. The Toolbox incorporates information and tools from various sources into a logical workflow. Crucial to this workflow is grouping chemicals into chemical categories.

New features :

  • 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.

.More information: http://www.oecd.org/chemicalsafety/risk-assessment/oecd-qsar-toolbox.htm