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