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Any SAR data from the literature can be mined to understand physicochemical properties or molecular features important for antiviral activity.
We further incorporated amino acid and proteomic data to correlate amino acid metabolism with molecular features important in oncogenesis.
Currently, there is a lack of: efficacious therapies for myositis; understanding of the molecular features important for disease pathogenesis; and potential molecular biomarkers for characterizing inflammatory myopathies to aid in clinical development.
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Attempts to correlate the structure of each sulfobetaines with its effect on folding revealed some molecular features that appear important in helping renaturation.
In multivariate analysis, considering all histological and molecular features together, the important prognostic factors were fibulin-4 expression (P = 0.000; hazard ratio 2.129), lymph node metastasis (P = 0.001; hazard ratio 1.017), and tumor stage (P = 0.005; hazard ratio 1.984) (Table 3).
By applying various multi-label learning algorithms, important molecular features driving transporter selectivity could be retrieved.
Label-powerset revealed important molecular features for selective or polyspecific inhibitory activity.
Label-powerset revealed important molecular features for selective or polyspecific inhibitory activity, while binary relevance and classifiers chain allow for more predictive models.
The pharmacophore highlights the most important molecular features shared by efficient LAT1-binding compounds and elucidates their 3D-arrangement in detail.
The models reveal important molecular features for specific or polyspecific inhibitory activity such as SlogP, the number of donors and acceptors of H bonds, the number of aromatic atoms and the length of the maximum single bond chain.
These limitations have prompted an enormous amount of research to identify and characterize important molecular features.
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CEO of Professional Science Editing for Scientists @ prosciediting.com