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A method has been designed to compress both high-throughput sequencing dataset and the data generated from calculation of log-odds of probability error for each nucleotide and the maximum compression ratios of 400 and 5 have been achieved, respectively [ 55].
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Some of the ligand property maps generated from calculations with electronic structure methods and surveyed in the preceding section have also been used to support catalyst screening and experimental design (Design of Experiments, DoE).
More precisely, a set of theoretical spectra is generated from EMT calculations for an ensemble of (a, m0) parameters.
A large amount of data is generated from the calculations (the JSON-LD file is over 17,000 lines long) yet the use of nested 'datagroup's allows straightforward organization of the spectrum data (see [56] for complete file).
The lookup tables for cutoff values and corresponding statistics (sensitivity, specificity) were generated from the calculations on each data point in the test data sets.
These structures were generated from HADDOCK calculations where non-native dimer 2 was docked on to a native dimer molecule or a non-native dimer 1 molecule using restraints from process IV.
To identify factors that could drive groupings of similar communities, principal coordinate analysis (PCoA) was performed on the Bray-Curtis matrices generated from beta diversity calculation, and the resulting PCoA plots were visualized using the phyloseq.
Statistical significance of this overlap was evaluated by comparison with a distribution of overlap values generated from 10000 random calculations.
The free energy surfaces generated from the metadynamics calculations indicate that this proposed 4 dimer configuration of DOR corresponds to the lowest-energy minimum.
The cladding surface temperature histories are generated from the thermal-hydraulic calculation results in the core design.
Starting with a dataset generated from density functional theory calculations, we used machine learning to construct surrogate models for the bandgaps and dielectric constants of all physically meaningful 4-block polymers (that is, polymer systems with a 4-block repeat unit).
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