Fig. 3.

(a) Screenshot of Bioclipse showing the chemical structure of carbamazepine, which was predicted to inhibit cancer cell growth and to be mutagenic. The circles highlight the parts of the chemical structure predicted to cause the mutagenicity (see Spjuth et al., 2011). (b) Architecture of the Bioclipse-R integration. Bioclipse makes use of the StatET plug-ins for interacting with R using the R-package rj (Wahlbrink and Verbeke, 2011), and it makes R available both via the user interface as well as the BSL