Figure 2. Models, predictions, and validation for AsPC1 and BxPC3 cell lines.

1. Differentially regulated mechanisms in AsPC1 or BxPC3, highlighted in green or purple depending on whether the corresponding estimated parameters are higher in AsPC1 or BxPC3, respectively.
2. Time course simulation of PI3K‐AKT pathway and related inhibitors in AsPC1 and BxPC3. Lines represent median values, and error bars represent standard deviation from the bootstrapped simulations.
3. Assessment of model predictions by cross‐validation, removing for each repetition all experiments involving one of the eight drugs (the corresponding drug targets are reported in the legend) from the training set and using it as test set. Bad predictions (Pearson Correlation < 0.6—which corresponds to removal of drug targeting PDPK1) are marked with empty dots.
4. New drug combinations predicted to be highly specific for each cell line, limited to targettable nodes. Combinations predicted to be specific for AsPC1 are marked in green and those specific for BxPC3 in purple. Combinations predicted to have no effect in both cell lines are marked with a dot.