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Fig. 20 | Journal of Cheminformatics

Fig. 20

From: PubChem atom environments

Fig. 20

Top-10 most frequent atom environments with radius r = 2 unique to Substance and Compound, respectively. Atom environments are ranked by their incidence in the respective database: a Substance; and b Compound. Incidence provided in absolute numbers due to very low corresponding percentages. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelOpenEye in the OpenEye Scientific Software, Inc. OEChem C++ toolkit [57].

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