Slot: smiles
The slot to provide the canonical SMILES descriptor of a ChemicalEntity.
URI: SIO:000008 Alias: smiles
Inheritance
- has_qualitative_attribute
- smiles
Applicable Classes
| Name | Description | Modifies Slot |
|---|---|---|
| Atom | A MaterialEntity constituting the smallest component of an element having the chemical properties of the element. | no |
| ChemicalEntity | Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. | no |
Properties
-
Range: SMILES
-
Multivalued: True
-
Recommended: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
Mappings
| Mapping Type | Mapped Value |
|---|---|
| self | SIO:000008 |
| native | chemdcatap:smiles |
LinkML Source
name: smiles
description: The slot to provide the canonical SMILES descriptor of a ChemicalEntity.
from_schema: https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/
rank: 1000
is_a: has_qualitative_attribute
slot_uri: SIO:000008
alias: smiles
domain_of:
- ChemicalEntity
range: SMILES
recommended: true
multivalued: true
inlined: true
inlined_as_list: true