Fig. 8. Quality scores comparing the proximity of all ensemble in silico model variants with their in vitro counterparts using eqn (9). The accuracy of HaCaT keratinocyte models were calculated by comparing the predicted and measured concentration of six eicosanoids (PGE2, PGF2α, 12-HETE, 15-HETE, 15-keto-PGE2 and 13,14-dihydro-15-keto-PGE2) at four time points (0.5 h, 1 h, 3 h and 6 h post stimulation). The accuracy of 46BR.1N fibroblast models was calculated by comparing the predicted and measured concentration of three eicosanoids (PGE2, 12-HETE and 15-HETE) at four time points (0.5 h, 1 h, 3 h and 6 h post stimulation). A cumulative quality score of >−500 (black, dashed line) indicated that a model variant predicted metabolite concentrations within a relatively close range to experimental data for all datapoints.
