An overview of the Bioclipse QSAR and OpenTox integration. Toxicological properties of molecules can be calculated in Bioclipse using the online computational services within the OpenTox cloud, in parallel to local services. When the user calculates these properties, Bioclipse will first query local and online service providers for available functionality. Example services in the OpenTox cloud are the ToxTree toxicology prediction models. The OpenTox cloud is queried by Bioclipse internally using the SPARQL query language. Once the user has selected the toxicological properties of interest (see Figure 2), these will be calculated by Bioclipse. Here, REST technologies are used to perform this computation in the OpenTox cloud. The computed results can then be used in Bioclipse.
Willighagen et al. BMC Research Notes 2011 4:487 doi:10.1186/1756-0500-4-487