Sentence examples for experimental descriptor from inspiring English sources

Receptor occupancy is also very important experimental descriptor for evaluating target engagement by the examined drug.

In this case, we illustrate the case where the analyst wants to make an intervention in the automatic selection of descriptors in order to incorporate an experimental descriptor to the model.

The purpose of this example is to predict elongation at break by means of a model with high performance, interpretability and the special requirement of including CHS (crosshead speed) as an experimental descriptor because of its high influence on the property value.

Here, we have pursued this hypothesis by a genome-wide analysis of conformational properties across yeast naked DNA using micrococcal nuclease (MNase) degradation profiles as an experimental descriptor.

The QSAR developed by Atkinson (1987), though widely used to estimate the OH reaction rates, were not considered in this study, as they involve an experimental descriptor: the sum of the electrophilic substituent constants.

Six calculated and two experimental descriptors, pressure and temperature, were selected as the most feasible descriptors.

Four molecular descriptors and three experimental descriptors such as pressure, temperature and melting point were selected as the most feasible descriptors for prediction of solubility in three supercritical fluids.

As defined by Todeschini and Consonni [31], a molecular descriptor is the final result of a logical and mathematical procedure that transforms chemical information encoded within a symbolic representation of a molecule into a useful number (calculated descriptors), or the result of standardized experiments (experimental descriptors).

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.

Spectral information and other experimental physicochemical descriptors need to be collected and disseminated for each single compound.

Since all the utilized descriptors are readily obtained from calculation, these derived models offer the advantage of not requiring the experimental determination of some descriptors.