In an article published on February 18, 2019, the European Chemicals Agency (ECHA) informed about the release of an update to the Organisation for Economic Cooperation and Development’s (OECD) QSAR Toolbox. “668,041 selected experimental data points for 11,735 chemicals are now available [in the update], including data from the REACH 2018 registration deadline.” The new version of the toolbox additionally includes two new datasets, five new profiles, five new methods for assessing the acid dissociation constant (pKa), and 159 new QSAR models. ECHA notes that “more data has been made available particularly on aquatic toxicity, sensitization, and irritation and corrosion, which will help governments, industry and stakeholders to fill in data gaps for assessing chemical hazards.”
Quantitative Structure-Activity Relationship (QSAR) is a technique that aims to predict the properties of compounds based on their chemical structure. The toolbox is a free software application that can be downloaded from the toolbox’s website.
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ECHA (February 18, 2019). “REACH 2018 registration data now included in QSAR Toolbox.”
OECD (February 18, 2019). “The OECD QSAR Toolbox.”
