Fig. 15From: PubChem chemical structure standardizationStructure 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 occurBack to article page