Sentence examples for shift predictions from inspiring English sources

In the opposite direction, more accurate and reliable chemical shift predictions facilitate rejection of non-viable assignments.

This concept was tested by training such a system with a dataset of 2341 molecules and their 1H-NMR spectra, and evaluating the accuracy of chemical shift predictions on a test set of 298 partially assigned molecules (2007 assigned protons).

We suggest that our empirically-based simulation modelling approach provides a useful framework to improve range shift predictions for a broad range of species, which is essential for the conservation planning of metapopulations under climate and landscape change.

This reflects in existing computational tools for NMR elucidation and assignment: either they are not fully-automatic, requiring preliminary analysis by the user [10, 11], or resort to chemical shift predictions [10, 12 18] that rely on databases of spectra assigned 'manually' by trained experts.

Their data were consistent with response shift predictions.

These tools, along with chemical shift predictions from the PACSY database, greatly accelerate protein side chain assignments.

It employs an easily implemented algorithm that has been widely used in NMR chemical shift prediction.

According to an equivalent model, the expressions for its center shift prediction are derived.

where ω ̄ is the steady-state angular velocity, and β φ is the DOA shift prediction value.

The automatic assignment of nuclei to their signals (right) produces entries to a database (mid) for chemical shift prediction (left).

where r is a Gaussian distributed random variable, and β f is the pitch shift prediction value.