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Fig. 33 | Journal of Cheminformatics

Fig. 33

From: PubChem chemical structure standardization

Fig. 33

Functional group standardization IV. Numbers above arrows are transformation indices for respective standardization rules (see the text for the description of transformation indices). a Different representations of cyclopentadiene used in metallocene structures are unified. b Case for benzene analogous to a. c Standardization of thiophene derivatives. Transformation is only successful if implicit hydrogen counts are sufficient

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