SMILES
Synonyms:
- Simplified Molecular Input Line Entry System
- SMILES string
When browsing drug cards on DrugBank, the field entitled 'SMILES' refers to the Simplified Molecular Input Line Entry System (SMILES). Subsequently, SMILES is a line notation system used for describing the structure of chemical species using short ASCII strings. SMILES notations for individual drugs and associated chemicals are calculated by ChemAxon.
For example, the SMILES notation for diphenhydramine is:
For example, the SMILES notation for diphenhydramine is:
CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
