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Metabolomics and genomics data are compiled by using different computational tools or databases for identification, prediction, analysis, and biosynthesis process development of secondary metabolites.
Nowadays frontier molecular orbitals analysis is well known to explain the reactivity of compounds [21] by using different computational methods.
These octapeptides were characterized by using different computational procedures.
Therefore, we scanned the whole genome sequence of B. subtilis by using different computational approaches.
The resulting lists of candidate proteins were assessed by comparing with some of known drug targets as well as potential targets predicted by using different computational and experimental methods.
The comparison of these lists of targets with some of known drug targets as well as potential targets predicted by using different computational and experimental methods revealed that about half of them have been previously predicted or reported to be potential drug targets for Mycobacterium tuberculosis H37Rv.
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ALE-HSA21 has been conceived to simply and rapidly provide the user with data usually dispersed in distinct databases or accessible by independently using different computational tools.
A recent assessment confirms this by showing significant variability between results obtained using different computational pipelines (SEQC/MAQC-III Consortium, 2014).
Similar results were obtained by comparing our data with two different databases using different computational analyses, further reinforcing the significance of this study.
We further examined the data quality and performed careful phylogenetic analyses by selecting the optimal substitution matrix for each dataset and using different computational algorithms.
Such models are implemented in many different statistical packages, all with different features and using different computational approaches.
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