Slot: smiles
SMILES (Simplified Molecular Input Line Entry System).
URI: https://echemdb.github.io/metadata-schema/autotag/smiles Alias: smiles
Applicable Classes
Name |
Description |
Modifies Slot |
|---|---|---|
Standard chemical identifiers for unambiguous identification of compounds |
no |
Properties
Type and Range
Property |
Value |
|---|---|
Range |
|
Domain Of |
Cardinality and Requirements
Property |
Value |
|---|
Slot Characteristics
Property |
Value |
|---|---|
Owner |
Examples
Value |
|---|
[Cl-].[Cl-].[Ca+2] |
Identifier and Mapping Information
Schema Source
from schema: https://echemdb.github.io/metadata-schema/autotag
Mappings
Mapping Type |
Mapped Value |
|---|---|
self |
https://echemdb.github.io/metadata-schema/autotag/smiles |
native |
https://echemdb.github.io/metadata-schema/autotag/smiles |
LinkML Source
```yaml
name: smiles
description: SMILES (Simplified Molecular Input Line Entry System).
examples:
- value: '[Cl-].[Cl-].[Ca+2]'
from_schema: https://echemdb.github.io/metadata-schema/autotag
rank: 1000
alias: smiles
owner: ChemicalIdentifiers
domain_of:
- ChemicalIdentifiers
range: string
</details>