Simplified Molecular-Input Line-Entry System (SMILES) are a linearized way of writing a molecule's sequence (i.e., the order in which atoms appear in them). They are also a file format (.smi, .smiles) that are predominantly used to depict the 2D structure of molecules, although they can contain isomeric (e.g., stereoisomeric or cis/trans-isomeric) information about the molecule in question.
External links[]
- Wikipedia page on this format
- OpenBabel page on this file format.