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CompChem should represent both computational input and output.
However this approach has proven to be operationally robust and requires less computational input (Hyyppä et al. 2008).
The definition of "system parameters" used in this work includes all computational input data, correlations, initial and/or boundary conditions, etc.
An example ofthe data inside a CML document produced by NWChem is provided inFigure 1 and a more formal definition of theproposed CML format echoing computational input is included in Appendix 2 (wherewe assume only ASCII data will be stored: arbitrary binary files with, forexample, wave functions are out of scope).
Previous studies have shown that long-range phasing and haplotype library imputation provide accurately imputed genotypes in livestock populations at a low computational input when the reference population is large [ 6, 43- 45].
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The model has been popularly used because of its clear and relatively simple computational inputs requirement compared to other conceptual and process based models.
When drug discovery projects are transferred, then rapidly assessing the available SAR in both overview and in numerical detail is a prerequisite for effective computational chemistry input.
The data assimilation procedure is theoretically based on the Bayesian updating paradigm and is meant to be pragmatic with modest computational and input data requirements.
In recent years, a set of diverse RNA structure prediction tools have become available, which differ in computational time, input data and accuracy.
For computational issues, input variables were initially standardized by removing the mean value and dividing them by the standard deviation of each variable.
Studies using thermo-luminescent detectors (TLD), tissue equivalent proportional counter (TPEC), and computer aided design (CAD) models of early ISS configurations confirmed that, as input, computational dosimetry at low Earth orbit (LEO) requires an environmental model with directional (anisotropic) capability to properly describe the exposure of trapped protons within ISS.
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