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ChemicalSubstance DRAFT Profile

Version: 0.5-DRAFT (05 August 2023)


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.
@context URL Used to provide the context (namespaces) for the JSON-LD file.
Not needed in other serialisations.		 ONE
@type Text Schema.org/Bioschemas class for the resource declared using JSON-LD syntax. For other serialisations please use the appropriate mechanism.
While it is permissible to provide multiple types, it is preferred to use a single type.		 MANY Schema.org, Bioschemas
@id IRI Used to distinguish the resource being described in JSON-LD. For other serialisations use the appropriate approach. ONE
dct:conformsTo IRI Used to state the Bioschemas profile that the markup relates to. The versioned URL of the profile must be used.
Note that we use a CURIE in the table here but the full URL for Dublin Core terms must be used in the markup (http://purl.org/dc/terms/conformsTo), see example.		 ONE Bioschemas profile versioned URL
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.
chemicalComposition Text
 Schema:

The chemical composition describes the identity and relative ratio of the chemical elements that make up the substance. For substances this often cannot be accurately determined, an approximation is acceptable.


 ONE
hasBioChemEntityPart BioChemEntity
 Schema:

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


 MANY
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
Marginality: Optional.
alternateName Text
 Schema:

An alias for the item.


 MANY
bioChemInteraction BioChemEntity
 Schema:

A BioChemEntity that is know to interact with this item.


 MANY
bioChemSimilarity BioChemEntity
 Schema:

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


 MANY
biologicalRole DefinedTerm
 Schema:

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


 MANY
chemicalRole DefinedTerm
 Schema:

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


 MANY
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 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