Computational predictive toxicology draws knowledge from many independent sources, providing a rich support tool to assess a wide variety of toxicological properties. A key example would be for it to complement alternative testing methods. The integration of Bioclipse and OpenTox permits toxicity prediction based on the analysis of chemical structures, and visualization the substructure contributions to the toxicity prediction. This demo will focus on the application of Bioclipse in predictive toxicology, and show the interactive, visualization, and cloud computing features. There is an additional option for attendees to learn about how they can add their own predictive models.
Willighagen, E.L., Jeliazkova, N., Hardy, B., Grafström, R.C., Nov. 2011. Computational toxicology using the OpenTox application programming interface and bioclipse. BMC Research Notes 4 (487). http://www.biomedcentral.com/1756-0500/4/487