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MolecularEntity

A molecular entity is a chemical entity composed of individual or covalently bonded atoms.

classDiagram ChemicalEntity <|-- MolecularEntity MolecularEntity : available_from MolecularEntity : category MolecularEntity : description MolecularEntity : has_attribute MolecularEntity : has_chemical_role MolecularEntity : id MolecularEntity : iri MolecularEntity : is_metabolite MolecularEntity : is_toxic MolecularEntity : max_tolerated_dose MolecularEntity : name MolecularEntity : provided_by MolecularEntity : source MolecularEntity : trade_name MolecularEntity : type MolecularEntity : xref

Parent Classes

Children

Slots

Name Description
available_from
category Name of the high level ontology class in which this entity is categorized. Corresponds to the label for the biolink entity type class. In a neo4j database this MAY correspond to the neo4j label tag. In an RDF database it should be a biolink model class URI. This field is multi-valued. It should include values for ancestors of the biolink class; for example, a protein such as Shh would have category values biolink:Protein, biolink:GeneProduct, biolink:MolecularEntity, etc. In an RDF database, nodes will typically have an rdf:type triples. This can be to the most specific biolink class, or potentially to a class more specific than something in biolink. For example, a sequence feature f may have a rdf:type assertion to a SO class such as TF_binding_site, which is more specific than anything in biolink. Here we would have categories {biolink:GenomicEntity, biolink:MolecularEntity, biolink:NamedThing}
description a human-readable description of an entity
has_attribute connects any entity to an attribute
has_chemical_role A role is particular behaviour which a material entity may exhibit.
id A unique identifier for an entity. Must be either a CURIE shorthand for a URI or a complete URI
iri An IRI for an entity. This is determined by the id using expansion rules.
is_metabolite indicates whether a molecular entity is a metabolite
is_toxic
max_tolerated_dose The highest dose of a drug or treatment that does not cause unacceptable side effects. The maximum tolerated dose is determined in clinical trials by testing increasing doses on different groups of people until the highest dose with acceptable side effects is found. Also called MTD.
name A human-readable name for an attribute or entity.
provided_by The value in this node property represents the knowledge provider that created or assembled the node and all of its attributes. Used internally to represent how a particular node made its way into a knowledge provider or graph.
source None
trade_name
type None
xref Alternate CURIEs for a thing

Mappings

Mapping Type Mapped Value
self ['https://w3id.org/biolink/biolink-model/:MolecularEntity']
native ['https://w3id.org/biolink/biolink-model/:MolecularEntity']
narrow ['STY:T088', 'STY:T085', 'CHEBI:23367', 'bioschemas:MolecularEntity']