QSAR Toolbox 4.6 enhances connectivity with IUCLID, increases the ability to use external models, and improves access to test substance information in the ECHA chemical database.

Helsinki, May 24, 2023- A major change in QSAR Toolbox 4.6 is the improved connection to IUCLID. This can better integrate data between the two platforms, making it easier for researchers to access and analyze relevant information.

The updated version also improves the use of external models, which provide more insights into chemical properties and safety. This update improves the performance and user friendliness of the QSAR toolbox.

In addition, QSAR Toolbox 4.6 has introduced a new feature for the REACH database, which includes experimental results submitted in REACH registration. In previous versions, data was only organized according to REACH registration, which was helpful for data visualization, but not suitable for prediction. Through this update, users can now organize and use REACH data based on the actual substances used to generate toxicological data, making more than four times the substances in REACH registration available for generating predictions.

background

The development of the OECD QSAR toolbox is a collaborative project between the European Chemical Administration (ECHA), the Organization for Economic Cooperation and Development (OECD), OECD member and partner countries, and the QSAR community.

This collaboration resulted in a free software provided to support chemical hazard assessment. It advocates the use of alternative animal assessment methods to minimize unnecessary animal testing without compromising human health and environmental safety.

The QSAR toolbox is used globally for chemical hazard assessment in both the public and private sectors.