Simplified molecular-input line-entry system

The simplified molecular-input line-entry system (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.

SMILES
Filename extension
.smi
Internet media type
chemical/x-daylight-smiles
Type of formatchemical file format
SMILES generation algorithm for Ciprofloxacin: break cycles, then write as branches off a main backbone

The original SMILES specification was initiated in the 1980s. It has since been modified and extended. In 2007, an open standard called OpenSMILES was developed in the open-source chemistry community.


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