Figure 3.

Model Predictions Can be Validated Using Targeted Metabolomics Data. Gene expression data for human hepatocytes treated in vitro with either caffeine or theophylline were integrated with iHsa or iRno to predict changes in the production of metabolites in the network. Although these compounds are structurally similar, we see little correlation between production of metabolites. We can validate select metabolite predictions using metabolomics data and then compare species-specific responses (blue – human, red – rat) to identify metabolites that are differentially produced.⁷).