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Figure 1 | Journal of Cheminformatics

Figure 1

From: PubChem3D: a new resource for scientists

Figure 1

PubChem Compound database 3-D coverage. As one can see, 89.6% of all records have a 3-D conformer model. If one includes the parent compound of salts, this coverage can be considered to be 92.3%. Of the cases not having a 3-D conformer model, the majority are due to the flexibility of the chemical structure being too great to be suitable for conformer generation.

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