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It saves a large number of high-fidelity function evaluations for initial model construction.
The remaining processes of our framework (Fig. 1) entail sketching designs for initial model development, testing the model to ascertain whether constraints have been met, and modifying the initial design/s to produce an optimum model.
We believe our general approach was useful for initial model development and testing, and offers a foundation on which future modeling efforts can be built.
For initial model creation, we used wildtype temporal activation profiles of MAP kinases and NF-κB and, for model testing, used TRAF6 KO and TRADD KO data.
Approximately $1 2 million would be needed for initial model development.
[ 42] Significance levels for independent variable selection were set at 0.10 for initial model entry and at 0.05 to remain in the final model.
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We consulted available geological maps, cross-sections, and borehole data as the basis for initial models for the sediment sites.
MODELLER was also used for initial modeling of O01427 using 1FOT and 2JDO.
The model coefficients for the initial model for any-stage AKI and the initial model for stage-3 AKI are shown in Table 10.
Table S1 of the Supporting Information gives linkage site torsion angle values for α′, β′, γ′, δ′, ε′, and χ and Met115 (whose side chain also had to be remodeled) for this initial model for MD.
The ROC AUC for the initial model for any-stage AKI in the development sample was 0.73 (95% CI 0.72, 0.74; Figure 1 and Table 8) and was very similar in the validation sample (AUC 0.74; 95% CI 0.72, 0.76).
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