Danish QSAR models
While the Danish (Q)SAR Database contains around 650,000 substances, there may still be substances of interest to some users which are not contained in the database. Or even when contained, there may in some cases be interest to obtain more detailed predictions in the QSAR Prediction Reporting Format, which includes information on prediction probability, possible alerts, nearest analogs in the training set etc.
The Danish (Q)SAR Models website offers users to make on-the-fly predictions for user-defined chemical structures by use of >30 models developed by DTU in the Leadscope software. The use of the commercial Leadscope® Enterprise Server software as a back-end to this website was made possible based on a collaboration agreement between Leadscope Inc. and the National Food Institute at the Technical University of Denmark.