Towards the prediction of non-peptidic epitopes
Fig 3
Example molecules for each cluster generated for the ChEBI dataset.
ChEBI IDs used for the example molecules: (a) Steroid/terpenoid like: CHEBI:776; (b) Betaine/glycerolipid derivatives: CHEBI:17636; (c) Fatty acid derivatives: CHEBI:16196; (d) Acyl-CoA derivatives: CHEBI:11010; (e) Glucoside/oligosaccharide derivatives: CHEBI:16551; (f) Nucleobase-containing molecular entities: CHEBI:15422; (g) Diverse small molecules: CHEBI:55395; (h) Cyclic Halide / Phenols: CHEBI:59246. All examples represent molecules that have been tested positive in B cell essays—except for the acyl-CoA derivatives, where no epitope was described.