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Figure 3 | Journal of Cheminformatics

Figure 3

From: Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration

Figure 3

Principles for generating canonical identifiers for some of the many chemical entity types. Please note that these identifiers are for instances of chemical entities rather than classes of chemical entities (e.g. all oxygen atoms or all C-O bonds) and necessarily involve the canonical identifier of their containing entity, molecule in this case.

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