Activity: Talks and presentations › Conference presentations
The QSAR team at the Technical University of Denmark, National Food Institute, has recently published a completely rebuilt version of the Danish QSAR Database (http://qsar.food.dtu.dk) with pre-generated predictions from a large number of QSAR models for over 600,000 chemical structures. A selection of >20 of these QSAR models of diverse endpoints encompassing metabolism, endocrine activity, genotoxicity and sensitization have been implemented in a real-time online predictive system. The system generates predictions including detailed reports on the fly for user-submitted structures and uses Leadscope Enterprise software as a back-end to the web server. All models have undergone robust cross-validation and are documented in the international QMRF format is available from the site.
4 May 2018 → 6 May 2018
International Conference on Computational Chemistry and Toxicology in Environmental Science