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Fig. 16 | Journal of Cheminformatics

Fig. 16

From: PubChem chemical structure standardization

Fig. 16

Differences in structure duplicate frequencies. a Frequency differences between before and after standardization, structure equivalency determined by de-aromatized canonical isomeric SMILES; b frequency differences between PubChem standardization and InChI normalization. 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 largest differences occur

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