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smiles-format.scroll
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smiles-format.scroll
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import ../code/conceptPage.scroll
id smiles-format
name Smiles
appeared 1988
creators David Weininger
tags textDataFormat
standsFor Simplified molecular-input line-entry system
fileExtensions smi
country United States
originCommunity United States Environmental Protection Agency
example
CC(=O)NCCC1=CNc2c1cc(OC)cc2
CC(=O)NCCc1c[nH]c2ccc(OC)cc12
wikipedia https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system
summary 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).
backlinksCount 17590
pageId 28569
dailyPageViews 413
appeared 1980
isbndb 0