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ChemicalSubstance DRAFT Profile

Version: 0.2-DRAFT-2019_06_11 (11 June 2019)

Bioschemas profile describing a ChemicalEntity


If you spot any errors or omissions with this type, please file an issue in our GitHub.


Key to specification table

CD = Cardinality

Property Expected Type Description CD Controlled Vocabulary Example
Marginality: Minimum.
identifier PropertyValue
Text
URL
Schema:

The identifier property represents any kind of identifier for any kind of Thing, such as ISBNs, GTIN codes, UUIDs etc. Schema.org provides dedicated properties for representing many of these, either as textual strings or as URL (URI) links. See background notes for more details.


ONE
name Text
Schema:

The name of the item.


ONE
url URL
Schema:

URL of the item.


MANY
Marginality: Recommended.
hasBioChemEntityPart BioChemEntity
URL
Schema:

Indicates a BioChemEntity that (in some sense) has this BioChemEntity as a part. Inverse property: isPartOfBioChemEntity


MANY
molecularFormula Text
Schema:

The empirical formula is the simplest whole number ratio of all the atoms in a molecule.


Bioschemas:

For substances this often cannot accurately be determined, an approximation is acceptable.

ONE
Marginality: Optional.
alternateName Text
Schema:

An alias for the item.


MANY
bioChemInteraction BioChemEntity
Schema:

A BioChemEntity that is known to interact with this item.


Bioschemas:

Interaction of the molecular entity with other BioChemical entities.

MANY
bioChemSimilarity BioChemEntity
Schema:

A similar molecular entity, e.g., obtained by fingerprint similarity algorithms.


MANY
biologicalRole DefinedTerm
Schema:

A role played by the molecular entity within a biological context.


MANY

Any suitable ontology such as ChEBI biological role

chemicalRole DefinedTerm
Schema:

A role played by the molecular entity within a chemical context.


Bioschemas:

A role played by the molecular entity within a chemical context.

MANY

Any suitable ontology such as ChEBI Chemical Role

description Text
Schema:

A description of the item.


ONE
disambiguatingDescription Text
Schema:

A sub property of description. A short description of the item used to disambiguate from other, similar items. Information from other properties (in particular, name) may be necessary for the description to be useful for disambiguation.


ONE
image ImageObject
URL
Schema:

An image of the item. This can be a URL or a fully described ImageObject.


MANY
potentialUse DefinedTerm
Schema:

Intended use of the molecular entity by humans.


MANY

Any suitable ontology such as ChEBI Application

sameAs URL
Schema:

URL of a reference Web page that unambiguously indicates the item’s identity. E.g. the URL of the item’s Wikipedia page, Wikidata entry, or official website.


MANY