Skip to main content

Advertisement

Fig. 3 | Journal of Cheminformatics

Fig. 3

From: PubChem atom environments

Fig. 3

Top-10 most frequent ‘augmented atoms’ in PubChem Compound. PubChem Compound records were fragmented with atom type and bond type definitions identical to those used by Adamson et al. [47]. Incidence was used for ranking, calculated based on 46,605,207 compound records. Dashed lines indicate aromatic bonds as perceived using the aromaticity model OEAroModelMDL in the OpenEye Scientific Software, Inc. OEChem C++ toolkit [57].

Back to article page