Evaluation of predicted drug targets. We conducted FBA based knock-out simulations to uncover reactions within the metabolic network of the parasite that are essential for the production of metabolites assumed to be important for parasite development (see Additional file9). The predicted set of indispensable reactions, which presumably represent good drug targets, was evaluated on the basis of a gold standard set that contains 57 experimentally verified essential enzymes. We determined true positives (TP), false positives (FP), false negatives (FN), and true negatives (TN) and calculated based on these numbers sensitivity, specificity, accuracy and precision of our method as well as the corresponding enrichment factor (red numbers). To compare our method to a previously proposed method for drug target detection, the choke-point analysis, we additionally identified all choke-points within the parasite's metabolic network and calculated the same statistics (green numbers).
Huthmacher et al. BMC Systems Biology 2010 4:120 doi:10.1186/1752-0509-4-120