Sentence examples for predicted spectrum from inspiring English sources
CFM-ID uses a probabilistic generative model to produce an in silico predicted spectrum for each candidate compound.
It then uses standard spectral similarity measures to rank those candidates according to how well their predicted spectrum matches the challenge spectrum.
Given an input spectrum and a list of candidate SMILES (or InChI) as provided by CASMI, cfm-id computes a predicted spectrum for each candidate and compares it to the input spectrum.
Rectified Complex Domain Deviation (RCDD): In the Complex Domain Deviation method no distinction in the type of deviation between the predicted spectrum and the one at issue is made.
The transform of the frequency-domain GIE to the time domain is easily achieved; the frequency-domain GIE per unit amplitude of magnetic fluctuation (as shown in Fig. 1), and the spectrum of observed magnetic field can give us the predicted spectrum of GIE.
We achieved this by searching for family-specific sequence motifs on ERVs that belonged to the predicted spectrum of most strongly bound states for a given tandem of zinc-fingers in a protein.
The theoretical predicted spectra are in excellent agreement with those obtained by experiments.
The structure for which the predicted spectra are closest to the experimental spectra is selected as the most probable.
The predicted spectra show the experimentally observed trends with fan tip speed, vane count and vane sweep.
Naturally, the predicted spectra appear unrealistically "smooth", since the empirical input data are averaged and modeled in the frequency domain.
Both the measured and predicted spectra show that unbalance and misalignment can be characterized primarily by one and two times shaft running speed, respectively.
