Sentence examples for cluster values from inspiring English sources

However, for the RMSD cluster values between 0.6 Å and 1.6 Å, the corresponding differences range between 0.2 Å and 0.3 Å.

In general, it is very reassuring to see that most of these conformer models at the 90% level are within the expected range for most RMSD cluster values.

The RMSD cluster values range from 0.4 Å to 2.2 Å (in discrete 0.2 Å increments), with an average and standard deviation of 0.75 Å ± 0.33 Å.

The frequency of the RMSD clustering threshold (RMSD cluster ) values used during the conformer clustering procedure for the 47,123 MMDB ligand conformer models.

Figure 3 shows segmented ROI images with different cluster values obtained after applying the proposed k-means algorithm to the data vector Z. Figure 3 Image segmentation by k -means.

After generating conformers for each molecule, PubChem3D samples the conformers in each ensemble, using an RMSD threshold determined according to Equation (3) and Equation (4). Figure 3 shows the distribution of the RMSD cluster values used to cluster the conformers in the conformer ensemble for the 47,123 MMDB ligands considered in the present study.

Cluster and exponential error is calculated as the percentage difference between measured thickness and either the average cluster value, or the value predicted by exponential regression.

As the RMSD cluster value (as well as N NHA, N R and N ER ) increases, all five conformer model accuracies before and after clustering linearly changed.

If the conformer model had more than 500 conformers after sampling, it was re-clustered with the RMSD cluster value incremented by a further 0.2.

Approximately 85% of the 47,123 PDB ligands have an RMSD cluster value of ≤ 1.0 Å. Figure 3 RMSD cluster conformer model sampling threshold.

While all the RMSD and ST ST-opt average accuracy measures did linearly correlate with the RMSD cluster value (Figures 8 and 9).