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Figure 6 | Journal of Cheminformatics

Figure 6

From: PubChem3D: conformer ensemble accuracy

Figure 6

Accuracy of conformer models as a function of RMSDcluster. The cumulative % distribution of the RMSD accuracy (binned in 0.1 Å increments) of the 47,123 MMDB ligand conformer models to the corresponding experimental 3-D structure as a function of RMSD clustering threshold (RMSDcluster): (a) before clustering and (b) after clustering. [Note the three conformer models at 2.2 Å were removed from this and some other figures for clarity].

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