Slot: smiles
A string encoding of a molecular graph, no chiral or isotopic information. There are usually a large number of valid SMILES which represent a given structure. For example, CCO, OCC and C(O)C all specify the structure of ethanol.
URI: nmdc:smiles
Applicable Classes
Name | Description | Modifies Slot |
---|---|---|
ChemicalEntity | An atom or molecule that can be represented with a chemical formula | no |
Properties
-
Range: String
-
Multivalued: True
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/nmdc/nmdc
LinkML Source
name: smiles
description: A string encoding of a molecular graph, no chiral or isotopic information.
There are usually a large number of valid SMILES which represent a given structure.
For example, CCO, OCC and C(O)C all specify the structure of ethanol.
from_schema: https://w3id.org/nmdc/nmdc
rank: 1000
alias: smiles
domain_of:
- ChemicalEntity
range: string
multivalued: true