Bioclipse-OpenTox: Interactive Predictive Toxicology

Bioclipse-OpenTox is a platform developed for the interactive prediction of toxicity-related properties or organic molecules. Integrating two independent projects, it enables toxicity prediction based on the analysis of chemical structures, and visualization the substructure contributions to the toxicity prediction. OpenTox is a semantic web framework, based on web services, which supports
open data exchange and toxicology model building and validation. Bioclipse is used to provide user-friendly solution for graphical interaction and visualisations, as well as scripting for workflow needs. It was recently extended to dynamically discover computational algorithms exposed via the OpenTox servers, acting as a registry of available computational toxicology services on the OpenTox network. We further show how predictions from multiple services can be simultaneously evaluated while editing substructures new compounds.