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The calculation of most of these descriptors for each compound of the dataset was performed using online E-Dragon software (version 1.0).
The relaxation and/or creep response of each compound of the composite is modeled separately and the global response is obtained by an assembly of all contributions.
It matches each compound of this cluster.
We skip uninformative fragments that occur in each compound of the dataset, which yields 15 distinctive fragments, all containing bromine.
For each compound of the artificial oil, the α values were calculated by linear regression of lnF versus lnA.
These six similar compounds are also related with a numerical score indicating the similarity with each compound of interest.
Similar(43)
Basically, Eq. 6 says that activity can be expressed as a linear function of the similarities of each compound to each of the other compounds in the training set.
The ability of each compound to decrease the viability of the HCV replicon cell line was also measured.
The user works directly with the 3D structure of each compound, instead of substituting compounds with dots or nodes.
We did an additional experiment to test the interchelation possibility of each compound with DNA of the cancer cells (detection of hypochromicity through absorption at 260 nm).
For each compound, values of the potentialpH slopes and pKa s are reported.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com