Fig. 16From: PubChem chemical structure standardizationDifferences 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 occurBack to article page