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Class: ChemicalMixture

Description: A chemical mixture is a chemical entity composed of two or more molecular entities.
classDiagram class ChemicalMixture ChemicalEntity <|-- ChemicalMixture ChemicalMixture <|-- MolecularMixture ChemicalMixture <|-- ComplexMolecularMixture ChemicalMixture <|-- ProcessedMaterial ChemicalMixture <|-- Food ChemicalMixture : available_from ChemicalMixture --|> DrugAvailabilityEnum : available_from ChemicalMixture : category ChemicalMixture : deprecated ChemicalMixture : description ChemicalMixture : drug_regulatory_status_world_wide ChemicalMixture --|> ApprovalStatusEnum : drug_regulatory_status_world_wide ChemicalMixture : full_name ChemicalMixture : has_attribute ChemicalMixture --|> Attribute : has_attribute ChemicalMixture : has_chemical_role ChemicalMixture --|> ChemicalRole : has_chemical_role ChemicalMixture : highest_FDA_approval_status ChemicalMixture --|> ApprovalStatusEnum : highest_FDA_approval_status ChemicalMixture : id ChemicalMixture : iri ChemicalMixture : is_supplement ChemicalMixture : is_toxic ChemicalMixture : max_tolerated_dose ChemicalMixture : name ChemicalMixture : provided_by ChemicalMixture : routes_of_delivery ChemicalMixture --|> DrugDeliveryEnum : routes_of_delivery ChemicalMixture : synonym ChemicalMixture : trade_name ChemicalMixture : type ChemicalMixture : xref

Inheritance

Slots

Name Cardinality and Range Inheritance Examples
is_supplement:

0..1
String
direct
highest_FDA_approval_status:
Should be the highest level of FDA approval this chemical entity or device has, regardless of which disease, condition or phenotype it is currently being reviewed to treat. For specific levels of FDA approval for a specific condition, disease, phenotype, etc., see the association slot, 'clinical approval status.'
0..1
ApprovalStatusEnum
direct
drug_regulatory_status_world_wide:
An agglomeration of drug regulatory status worldwide. Not specific to FDA.
0..1
ApprovalStatusEnum
direct
routes_of_delivery:
the method or process of administering a pharmaceutical compound to achieve a therapeutic effect in humans or animals.
*
DrugDeliveryEnum
direct
trade_name:
0..1
String
ChemicalEntity
available_from:
*
DrugAvailabilityEnum
ChemicalEntity
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.
0..1
String
ChemicalEntity
is_toxic:
0..1
Boolean
ChemicalEntity
has_chemical_role:
A role is particular behaviour which a chemical entity may exhibit.
*
ChemicalRole
ChemicalEntity
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.
*
String
NamedThing
xref:
A database cross reference or alternative identifier for a NamedThing or edge between two NamedThings. This property should point to a database record or webpage that supports the existence of the edge, or gives more detail about the edge. This property can be used on a node or edge to provide multiple URIs or CURIE cross references.
*
Uriorcurie
NamedThing
full_name:
a long-form human readable name for a thing
0..1
LabelType
NamedThing
synonym:
Alternate human-readable names for a thing
*
LabelType
NamedThing
id:
A unique identifier for an entity. Must be either a CURIE shorthand for a URI or a complete URI
1
String
Entity
iri:
An IRI for an entity. This is determined by the id using expansion rules.
0..1
IriType
Entity
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. 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}
1..*
Uriorcurie
Entity
type:
None
*
String
Entity
name:
A human-readable name for an attribute or entity.
0..1
LabelType
Entity
description:
a human-readable description of an entity
0..1
NarrativeText
Entity
has_attribute:
connects any entity to an attribute
*
Attribute
Entity
deprecated:
A boolean flag indicating that an entity is no longer considered current or valid.
0..1
Boolean
Entity

Usages

used by used in type used
ChemicalMixture is_supplement domain ChemicalMixture
MolecularMixture is_supplement domain ChemicalMixture
ComplexMolecularMixture is_supplement domain ChemicalMixture
ProcessedMaterial is_supplement domain ChemicalMixture
Drug is_supplement domain ChemicalMixture
Food is_supplement domain ChemicalMixture

Valid ID Prefixes

Instances of this class should have identifiers with one of the following prefixes, ordered with the most preferred first:

ID Prefix Usage
CHEBI ChemicalRole
ChemicalOrDrugOrTreatment
MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
has_chemical_role
UNII MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
PUBCHEM.COMPOUND ChemicalOrDrugOrTreatment
MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
CHEMBL.COMPOUND ChemicalOrDrugOrTreatment
MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
DRUGBANK MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
MESH OntologyClass
OrganismTaxon
MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
Disease
PhenotypicFeature
AnatomicalEntity
CellularComponent
Cell
GrossAnatomicalStructure
Protein
CAS MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
DrugCentral MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
GTOPDB MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
HMDB MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
KEGG.COMPOUND MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
PHARMGKB.DRUG MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
MolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
ChemBank MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
PUBCHEM.SUBSTANCE MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
SIDER.DRUG MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
INCHI MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
INCHIKEY MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
BIGG.METABOLITE MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
foodb.compound MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
KEGG.GLYCAN MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
KEGG.DRUG MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
EnvironmentalFoodContaminant
FoodAdditive
Food
KEGG.ENVIRON MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
KEGG MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
MolecularActivity
BiologicalProcess
Pathway
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
UMLS OntologyClass
OrganismTaxon
MolecularEntity
ChemicalEntity
SmallMolecule
ChemicalMixture
NucleicAcidEntity
MolecularMixture
ComplexMolecularMixture
MolecularActivity
ProcessedMaterial
Drug
EnvironmentalFoodContaminant
FoodAdditive
Food
Disease
PhenotypicFeature
AnatomicalEntity
CellularComponent
Cell
GrossAnatomicalStructure
Gene
Polypeptide
Protein

LinkML Source

name: chemical mixture
id_prefixes:
- CHEBI
- UNII
- PUBCHEM.COMPOUND
- CHEMBL.COMPOUND
- DRUGBANK
- MESH
- CAS
- DrugCentral
- GTOPDB
- HMDB
- KEGG.COMPOUND
- PHARMGKB.DRUG
- ChemBank
- PUBCHEM.SUBSTANCE
- SIDER.DRUG
- INCHI
- INCHIKEY
- BIGG.METABOLITE
- foodb.compound
- KEGG.GLYCAN
- KEGG.DRUG
- KEGG.ENVIRON
- KEGG
- UMLS
description: A chemical mixture is a chemical entity composed of two or more molecular
  entities.
in_subset:
- translator_minimal
from_schema: https://w3id.org/biolink/biolink-model
close_mappings:
- dcid:ChemicalCompound
narrow_mappings:
- NCIT:C20401
- SNOMEDCT:49616005
is_a: chemical entity
slots:
- is supplement
- highest FDA approval status
- drug regulatory status world wide
- routes of delivery