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Fig. 15 | Journal of Cheminformatics

Fig. 15

From: PubChem chemical structure standardization

Fig. 15

Structure duplicate frequencies in PubChem. Structure equivalency determined by de-aromatized canonical isomeric SMILES before standardization (a), after PubChem standardization (b) and by standard InChIs (c). The x-axis indicates the number of duplicates per structure, Y-axis the frequency of this number of duplicates. Plots are double-logarithmic for clarity to emphasize the region of low duplicate counts where the highest differences occur

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