Danish (Q)SAR Models


The Danish (Q)SAR Database includes estimates from more than 200 (Q)SARs from free and commercial platforms and related to physicochemical properties, ecotoxicity, environmental fate, ADME and toxicity. (Q)SAR predictions for more than 650,000 chemical substances can be searched, sorting can be made on chemical similarity, and profiles for individual substances can be downloaded.

The Danish (Q)SAR Models is a new portal to access some of the models of the database directly, also for new substances. Predictions of user-submitted structures are generated on the fly for >30 of the DTU-developed models in the Danish (Q)SAR Database. A downloadable QPRF report is generated, including prediction probability, training set analogs and relevant alerts.

The website is developed by the National Food Institute, Technical University of Denmark, with support from the Danish Environmental Protection Agency. The website is developed in collaboration with Leadscope Inc. and uses Leadscope Enterprise Server 3.5 as a back-end for real-time predictions.