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Slot: smiles (DEPRECATED)

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: emi:smiles Alias: smiles

Properties

  • Range: String

  • Multivalued: True

Identifier and Mapping Information

Schema Source

  • from schema: https://www.earthmetabolome.org/emi-ontology-linkml/

Mappings

Mapping Type Mapped Value
self emi:smiles
native emi:smiles

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.
deprecated: 'True'
from_schema: https://www.earthmetabolome.org/emi-ontology-linkml/
rank: 1000
alias: smiles
range: string
multivalued: true