Sentence examples for develop a descriptor from inspiring English sources

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.

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.

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.

Then we develop a discriminative shape descriptor for retrieval using many-to-one encoder.

Therefore, we decided to develop a novel structural descriptor that is both, highly accurate with regard to subsequent classification, but also very efficient with regard to computing time.

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.

These relative abundances were used as descriptors to develop a multiple linear regression (MLR) QSAR equation to predict methane production rates solely based on microbial community data.

We demonstrate this by using an in-house thermal simulator to link predicted cooling rates with micrographs describing experimental shape descriptors to develop a relationship between solidification cooling rate and porosity geometry.

This research aims to delineate a framework that enables the integration of different approaches to select a set of site- and scale-specific indices and synthetic descriptors and develop a comprehensive quantitative assessment of variations in human impact on the landscape, through assessment of habitat spatial patterns, which can be used as a baseline for monitoring.

In [10] the stability conditions are developed by a descriptor model transformation technique, and the nonlinear uncertainties are handled by the S-procedure.