About Selecting Target of Enrichment
ChEBI structure classification: The structure classification describes a molecular entity based on its composition and/or the connectivity between its constituent atoms.
ChEBI role classification: The role classification describes the role of a molecular entity within a biological context and/or its intended use by humans.
ChEBI structure and role classification ("Both"): The structure and role classification is the union
of both classifications. Note that the structure classification is significantly larger than the role
classification.
About Using SMILES
When using SMILES, the enrichment analysis will be performed on the ChEBI entities that are mapped to the input SMILES. If a SMILES is not mapped to any ChEBI entity, its direct parent classes can be predicted (this is done with Chebifier) and used for the enrichment analysis. Alternatively, the unmapped SMILES can be completely excluded.