Simplified molecular-input line-entry system

  • smiles
    filename extension.smi
    internet media typechemical/x-daylight-smiles
    type of formatchemical file format
    smiles generation algorithm for ciprofloxacin: break cycles, then write as branches off a main backbone

    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.

    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. other linear notations include the wiswesser line notation (wln), rosdal, and sybyl line notation (sln).

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

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.

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. Other linear notations include the Wiswesser line notation (WLN), ROSDAL, and SYBYL Line Notation (SLN).