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However, the literature does not report an approach whereby actual crude and/or its chemical composition is used during the modeling of petroleum thermodynamics.
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To further validate, we used independent datasets, which were not used during the model training.
This information is combined into the mean of the Gaussian priors to be used during the model training.
Success rate was calculated using 100 training flood locations and prediction of accuracy, using remaining 43 flood locations which were not used during the model building.
The latter is used to help identify the ensemble having the "best" architecture but is not used during the model building process itself.
The type of fragment force field used during the model building stage caused minor variations (less than 0.01) in the average RMSD of conformer models for energy windows 5 and 10 kcal/mol and these disappear entirely at 15 kcal/mol, indicating an overall insensitivity to the type of fragment force field used.
This was then used during the model fitting stage [30].
Two thousand Bollen-Stine bootstraps were used during the model estimation to control for multivariate non-normality.
PathText provides a tool for manual annotation of full papers that can be used during the model curation phase.
More than one template structure was used during the model generation process in order to assess the variability of the different regions of the A domain structures.
It is important to document sources used during the model building process so that, if discrepancies arise between the model simulations and what is known about the system, the knowledge basis of the model can easily be revisited.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com