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The implemented methodology provides a framework for decision support in the form of a sensitivity analysis.
To validate the efficiency of the implemented methodology, a model was also developed without feature selection (full-model).
The implemented methodology is based on the principles of multicriteria analysis and preference disaggregation modelling.
It is expected further applications to be found for other antimicrobial peptides families based on the implemented methodology.
An overview of the implemented methodology is shown in Fig. 2 (see full KNIME view in Additional file 1: Figure S1).
The implemented methodology using the OPLS-AA force field and constant pressure/temperature algorithms compare well with the literature data, suggesting the validity of the proposed method.
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Quality assessments were adapted based on existing validated instruments and the study characteristics in order to assess the implemented methodologies and theory utilization.
The study implemented methodology to align with NICE guidance on alternative methods for generating health state utility values when EQ-5D data are either unavailable or inappropriate.
We further used "Customized" mode, of the workflow (Fig. 3), to demonstrate the efficiency of implemented methodology in the developed automated QSAR model by comparing its performance to the published solutions of scientific problems.
The designed and implemented methodology is explained in the following UML notation and semantics for use case, activity, dataflow, system sequence, class, component and database (entity relationship) diagrams (Please see details in the Supplementary material).
The performance of the implemented isogeometric analysis methodology is presented on two- and three-dimensional examples.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com