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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: canSAR chemistry registration and standardization pipeline

Fig. 6

Examples of rejected structures for aromaticity (a and b) or valence (c and d) errors. a BindingDB MonomerID 60884 and b BindingDB MonomerID 185783 are incorrectly represented as aromatic, wrong portion of the molecule are highlighted in red. In c BindingDB MonomerID 142162 and d BindingDB MonomerID 289106, the valence of the red Nitrogen atom is wrong

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