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Fig. 5 | Journal of Cheminformatics

Fig. 5

From: PubChem chemical structure standardization

Fig. 5

Comparison of five aromaticity perception models. Structure classification as aromatic is indicated by color (blue: aromatic; orange: not aromatic; grey: not available). Aromaticity was perceived in every structure using the function OEAssignAromaticFlags in the OpenEye OEChem C++ toolkit with the aromaticity models OEAroModelMDL (MDL), OEAroModelTripos (Tripos), OEAroModelMMFF (MMFF), OEAroModelDaylight (Daylight) and OEAroModelOpenEye (OpenEye). If at least one atom or bond in a structure was identified as aromatic, the whole structure was classified as aromatic. Atomic element Te is not available in the MMFF and Tripos aromaticity models. Redrawn with permission from the OpenEye Scientific Software Inc. OEChem C++ toolkit documentation [62]

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