GCAC: galaxy workflow system for predictive model building for virtual screening.

Background: Traditional drug discovery approaches are time-consuming, tedious and expensive. Identifying a potential drug-like molecule using high throughput screening (HTS) with high confidence is always a challenging task in drug discovery and cheminformatics. A small percentage of molecules that pass the clinical trial phases receives FDA approval.

MetaNET--a web-accessible interactive platform for biological metabolic network analysis.

Background: Metabolic reactions have been extensively studied and compiled over the last century. These have provided a theoretical base to implement models, simulations of which are used to identify drug targets and optimize metabolic throughput at a systemic level. While tools for the perturbation of metabolic networks are available, their applications are limited and restricted as they require varied dependencies and often a commercial platform for full functionality.