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ChemicalSubstance Profile

Version: 0.4-RELEASE (07 April 2020)

Bioschemas profile describing a ChemicalEntity


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


Contributors

The following people have been involved in the creation of this specification document. They are all members of the Chemicals group.

Group Leader(s)
Other team members

Schema.org hierarchy

This Profile fits into the schema.org hierarchy as follows:

Thing > BioChemEntity > ChemicalSubstance

Description

This profile describes a ChemicalSubstance which is 'a portion of matter of constant composition, composed of molecular entities of the same type or of different types' (source: ChEBI:59999).

Summary of Changes

This is the first release of the ChemicalSubstance profile. There are no changes from the previous draft.

Latest profiles

Latest release: 0.4-RELEASE

Previous profiles

Previous version: 0.3-DRAFT-2019_11_11


Group Use Cases Cross Walk Task & Issues Examples Live Deploys
Chemicals

You can read the draft version of this specification here.




Key to specification table

Schema.org properties where the Expected Types have been changed, or new (i.e., Bioschemas created) properties/types are green.

Schema.org properties/types are red.

Pending Schema.org properties/types are blue.

External (i.e., from 3rd party ontology) properties/types are black.


CD = Cardinality


View all examples
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 ofThing, 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
View ≪identifier≫ example
name Text
Schema:

The name of the item.


ONE
View ≪name≫ example
url URL
Schema:

URL of the item.


MANY
View ≪url≫ example
Marginality: Recommended.
chemicalComposition Text
Schema:

The chemical composition describes the identity and relative ratio of the chemical elements that make up the substance.


Bioschemas:

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

ONE
View ≪chemicalComposition≫ example
hasBioChemEntityPart BioChemEntity
Schema:

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


MANY
View ≪hasBioChemEntityPart≫ example
Marginality: Optional.
alternateName Text
Schema:

An alias for the item.


MANY
View ≪alternateName≫ example
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 BioChemEntity, e.g., obtained by fingerprint similarity algorithms.


MANY
biologicalRole DefinedTerm
Schema:

A role played by the BioChemEntity within a biological context.


MANY

Any suitable ontology such as ChEBI biological role

chemicalRole DefinedTerm
Schema:

A role played by the BioChemEntity 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

View ≪chemicalRole≫ example
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 BioChemEntity by humans.


MANY

Any suitable ontology such as ChEBI Application

View ≪potentialUse≫ example
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
View ≪sameAs≫ example

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