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Table 1 Model validation and predictive analysis. Validation was performed on a dataset obtained from Delivoria-Papadopoulos et al., 2011 and our current work. Specifically, the effect of PP2 was used for validative analysis. The percentage change from Hx to Hx + PP2 conditions were calculated and compared between experimental and simulation data. Experimental trends were qualitatively assessed as match or mismatch. Effect accuracy was calculated based on comparison between PP2 effects as seen in experimental and simulation data. Depending on model prediction compared to experimental data, effects were labeled as either an ‘overstimate’ or ‘underestimate’

From: Computational analysis of cortical neuronal excitotoxicity in a large animal model of neonatal brain injury

Molecule

Experimental data

Simulation data

Trend match/mismatch

Accuracy (Effect of PP2)

Hx to Hx + PP2 (% change w.r.t Hx)

Hx to Hx + PP2 (% change w.r.t Hx)

change

trend

change

trend

Validation analyses

 Nuclear Ca2+

-28.07

â–¼

-44.85

â–¼

Match

40.22%; overestimate

 Activated Ca2+/CaM

-63.22

â–¼

-43.63

â–¼

Match

69.01%; underestimate

 Activated CaMKIV

-59.10

â–¼

-65.27

â–¼

Match

89.56%; overestimate

 Activated CREB

-36.84

â–¼

-91.20

â–¼

Match

47.56%; overestimate

Predictive analysis (test validation)

 Activated CaMKK(2)

-42.81

â–¼

-42.38

â–¼

Match

99.0%; underestimate