|internet media type|
|type of format||chemical 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).