The simplified molecular input line entry specification or SMILES is a specification for
unambiguously describing the structure of chemical molecules using short ASCII strings.
SMILES
strings can be imported by most molecule editors for conversion back...
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The simplified molecular input line entry specification or SMILES is a specification for
unambiguously describing the structure of chemical molecules 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 developed by Arthur Weininger and David Weininger in
the late 1980s.
It has since been modified and extended by others, most notably by Daylight
Chemical Information Systems Inc.
In 2007, an open standard called "OpenSMILES" was
developed by the Blue Obelisk open-source chemistry community.
Other linear notations include
the Wiswesser Line Notation (WLN), ROSDAL and SLN (Tripos Inc).
In August 2006, the IUPAC introduced the InChI as a standard for formula representation.
SMILES is generally considered to have the advantage of being slightly more human-readable than
InChI; it also has a wide base of software support w
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