Statements (28)
| Predicate | Object |
|---|---|
| gptkbp:instanceOf |
chemical notation
|
| gptkbp:convertedTo |
3D structure
2D structure |
| gptkbp:developedBy |
David Weininger
|
| gptkbp:fullName |
Simplified Molecular Input Line Entry System
|
| https://www.w3.org/2000/01/rdf-schema#label |
SMILES notation
|
| gptkbp:introducedIn |
1980s
|
| gptkbp:isHumanReadable |
true
|
| gptkbp:isMachineReadable |
true
|
| gptkbp:isTextBased |
true
|
| gptkbp:relatedTo |
gptkb:SMARTS
gptkb:InChI chemical graph theory |
| gptkbp:represents |
bonds
branching atoms stereochemistry ring structures |
| gptkbp:standardizedBy |
OpenSMILES
|
| gptkbp:usedBy |
chemical search engines
chemical drawing tools chemoinformatics software |
| gptkbp:usedFor |
representing chemical structures
|
| gptkbp:usedIn |
molecular modeling
cheminformatics chemical databases |
| gptkbp:bfsParent |
gptkb:IUPAC_nomenclature
|
| gptkbp:bfsLayer |
6
|