Sentence examples for for computational data from inspiring English sources

The trend of KOW change is more noticeably dependent on PC2 for the experimental data (opposite to solubility trend as expected) but not really noticeable for computational data.

The combination of solid conceptual underpinnings and tools for its use have made the GO a widely popular resource in the biological and bioinformatics research community and an essential resource for computational data analysis.

XX and JL were responsible for computational data analyses and software development.

KN provided technical expertise for computational data analysis, and manuscript editing.

For computational data analysis, we also need large-scale comparisons to provide a fair evaluation of different methods.

In MolHub the operating data resources are mainly in XML format (CompChem for computational chemistry data) but it also offers alternative access to the raw data (in legacy format), in the case that the XML formats do not contain the required information.

Our results indicate computational data for liquid phase represent the experimental results better than the data for gas phase.

The computational results are also in general agreement with the limited amount of existing experimental and computational data for permeable spheres.

Figure 1 illustrates the outputs generated by ProDy in a comparative analysis of experimental and computational data for p38 kinase (Bakan and Bahar, 2011).

For computational efficiency, data and parameter settings from scenario and surveillance modules can be transferred to separate simulation software that runs the comparative analyses [28].

Nearly, dereplication analysis is necessary for computational support of data handling, processing and for structure elucidation purpose.