Fig. 22From: PubChem chemical structure standardizationAnalysis of 37,882,174 substances first modified in the Standardize Valence Bond Form step during PubChem standardization of InChI-derived structures. Modifications made in this step can be tracked by comparing the de-aromatized canonical isomeric SMILES of InChI-derived structures and PubChem-standardized structures. RDB stands for the count of ring double bonds, and RDBPubChem and RDBInChI are the RDB counts for PubChem-standardized and InChI-derived structures, respectively, emphasizing the tautomer scoring approach in PubChem for exocyclic double bondsBack to article page