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We therefore aimed at developing a descriptor list to facilitate the identification of A. melegueta using 34 morphometric traits comprising 18 quantitative and 16 qualitative characters.
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The steroid 3D-QSAR model was then used to estimate the quantitative contribution of nitrogen heme iron coordination on aromatase inhibition by subtracting contributions of other interactions from the experimental pIC50 to develop a descriptor describing the heme coordination.
We have developed a descriptor generation method which is independent of tautomer and valence structure representation to address this problem and will illustrate its application to the atomic descriptors used in S+pKa, which is our global model of protic ionization constants.
While they show that both parameters are associated with an increased risk of death (and therefore that, in combination, the risk of death is even greater), they fall short in developing a novel descriptor of gastrointestinal dysfunction.
(a) What are the procedures to be followed in developing a Can Do descriptor pool?
What are the procedures to be followed in developing a Can Do descriptor pool?
In an effort to determine an electronic feature important in binding besides the nitrogen heme iron coordination we attempted to develop a quantum mechanical descriptor correlated with the contribution of the heme coordination.
Topological maximum cross correlation (TMACC) descriptors were created [9] with the intention of developing an interpretable 2D descriptor for QSAR modelling.
For several years, Bioversity International, in collaboration with crop experts, has been developing a controlled vocabulary, called descriptors, for characterizing crop varieties in the field.
The FAE relative specificities of the 34 Ascomycota of Table 1 were evaluated as descriptors for developing a model to predict the taxonomic ranks (Class, Order, Family) for each strain.
In [10] the stability conditions are developed by a descriptor model transformation technique, and the nonlinear uncertainties are handled by the S-procedure.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com