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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: An open source chemical structure curation pipeline using RDKit

Fig. 2

Examples of standardisations that have been applied to a set of compounds. The compound structure before and after standardisation is shown. a Fix hypervalent nitro groups, b remove explicit H atoms, c fix covalently drawn alkaline metals connected to O or N to ionic forms, d Standardise sulphoxides to charge separated form, e normalise (straighten) allene bonds

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