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Figure 5 | Journal of Cheminformatics

Figure 5

From: PubChem3D: conformer ensemble accuracy

Figure 5

Conformer models with accuracy better than RMSDcluster. The fraction of the conformer models of the 47,123 MMDB ligands with an RMSD to the corresponding experimental 3-D structure less than the RMSD clustering threshold (RMSDcluster) (solid line) and RMSDcluster + 0.1 Å (dashed line).

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