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A new concept for describing the active site in heterogeneous catalysis, called the embedded surface molecule, is defined.
[A non-inactive molecule is defined as any molecule that is not inactive against the assay target, including "unspecified/inconclusive" compounds as well as "active" compounds].
In these projections the position of any molecule is defined by its coordinates in the first three respectively two principal components (PCs).
In this way once the biomass equivalent molecule is defined, the model works with the only definition of a Equivalence Ratio and a temperature.
Because we assumed that the phosphorylation of each molecule is defined by a single upstream kinase in our model (Figure 3 and S2), estimation of the contribution of multiple kinases to respective phosphorylation processes was difficult.
The length of a molecule is defined as the location of a molecule in the multi-step reactions.
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In a multidimensional property space dimensions and the position (coordinates) of any molecule are defined by a set of molecular descriptors.
The spectral function and the luminescence spectra of the molecule are defined by the relations, A L = - 1 Π I L r , (5) B L = - 1 Π I L < , (6).
Within each of the fingerprint space, enrichment studies were carried as follows: a) for each of the 15 fragrance molecule classes (defined above, 12 in case of GDB-13.FL) reference/query molecule was defined as compound which is most similar to all the other compounds (molecule with lowest CBD to all the other compounds) in the given fragrance molecule class.
Binding affinities of peptides to the HLA-A*0201 HLA-A*0201ere defined as high (IC50<1 µmoleculermediate (IC50 1–10 µM) and lowereC50>10 µM).
Resulting nine-mers that bind a given MHC molecule are defined as epitopes for this HLA allele.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com