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The modelling technique CART generated models with a poor performance, irrespective of the reference models.
The modelling technique SVM also generated models with a poor performance, irrespective of the reference models, except when the RF model was used as reference model (AUC 0.871, Table 4).
While overall alignment and homology model generation would benefit from a template with greater sequence identity, all modeling servers reported high confidence in the generated models with no variation in the placement of the SCRD between models.
The thence generated models with highest PMPs can be evaluated, and a model that best represents the dependent variable (e.g. GDP) can be chosen.
At the low-resolution limit, ≥4.0 Å, the new protocol generated models with Cα positions that have RMSDs that are 0.18 Å more similar to the reference high-resolution structure, Ramachandran scores improved by 13%, and clashscores improved by 51%, all in comparison to models generated with the standard refinement protocol.
Another strength of our study is that we compared locally generated models with the WHO models.
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We associate the required model answers in the generated model with their corresponding constructed questions.
The best alignments were used to generate models with Modeller v.9.12 [ 29].
Our approach allows the designer to automatically optimise their chosen design and to generate models with improved aerodynamic efficiency.
Data driven artificial intelligence methods such as machine learning algorithms have proven highly effective in generating models with good predictivity and some degree of interpretability.
Evaluation of the DESIGN and PURPOSIVE tree models on the EVALUATION data set shows significantly lower prediction accuracy for the PURPOSIVE tree models relative to the DESIGN models, indicating that non-probabilistic sample surveys may generate models with limited predictive capability.
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