Class: generalized molecular structure class (GeneralizedMolecularStructureClass)
A molecule grouping class that can be written using a chemical formula using variables (e.g. n), or arithmetic expressions uing variables (e.g. 2n+2), plus optionally constraints on those variables (e.g. n>3). An example is alkane; CnH2n+2, which groups specific molecules such as methane
URI: chemrof:GeneralizedMolecularStructureClass
classDiagram
class GeneralizedMolecularStructureClass
click GeneralizedMolecularStructureClass href "../GeneralizedMolecularStructureClass"
MoleculeGroupingClass <|-- GeneralizedMolecularStructureClass
click MoleculeGroupingClass href "../MoleculeGroupingClass"
GeneralizedMolecularStructureClass <|-- MonomericPolymericGroupingClass
click MonomericPolymericGroupingClass href "../MonomericPolymericGroupingClass"
GeneralizedMolecularStructureClass : id
GeneralizedMolecularStructureClass : name
GeneralizedMolecularStructureClass : owl_subclass_of
GeneralizedMolecularStructureClass --> "0..1" OwlClass : owl_subclass_of
click OwlClass href "../OwlClass"
GeneralizedMolecularStructureClass : subtype_of
GeneralizedMolecularStructureClass --> "*" MoleculeGroupingClass : subtype_of
click MoleculeGroupingClass href "../MoleculeGroupingClass"
Inheritance
- GroupingClass [ OwlClass]
- PhysicochemicalEntityGroupingClass
- ChemicalGroupingClass [ OwlClass]
- MoleculeGroupingClass
- GeneralizedMolecularStructureClass
- MoleculeGroupingClass
- ChemicalGroupingClass [ OwlClass]
- PhysicochemicalEntityGroupingClass
Slots
Name | Cardinality and Range | Description | Inheritance |
---|---|---|---|
id | 1 String |
ChemicalGroupingClass, GroupingClass | |
owl_subclass_of | 0..1 OwlClass |
Holds between C and P if C owl:subClassOf P | OwlClass |
name | 0..1 String |
name of chemical entity | GroupingClass |
subtype_of | * MoleculeGroupingClass |
grouping classes can be arranged in hierarchies arbitrarily deep | GroupingClass |
Examples
Value |
---|
monosaccharide |
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/chemrof
Mappings
Mapping Type | Mapped Value |
---|---|
self | chemrof:GeneralizedMolecularStructureClass |
native | chemrof:GeneralizedMolecularStructureClass |
LinkML Source
Direct
name: GeneralizedMolecularStructureClass
description: A molecule grouping class that can be written using a chemical formula
using variables (e.g. n), or arithmetic expressions uing variables (e.g. 2n+2),
plus optionally constraints on those variables (e.g. n>3). An example is alkane;
CnH2n+2, which groups specific molecules such as methane
title: generalized molecular structure class
examples:
- value: monosaccharide
from_schema: https://w3id.org/chemrof
is_a: MoleculeGroupingClass
Induced
name: GeneralizedMolecularStructureClass
description: A molecule grouping class that can be written using a chemical formula
using variables (e.g. n), or arithmetic expressions uing variables (e.g. 2n+2),
plus optionally constraints on those variables (e.g. n>3). An example is alkane;
CnH2n+2, which groups specific molecules such as methane
title: generalized molecular structure class
examples:
- value: monosaccharide
from_schema: https://w3id.org/chemrof
is_a: MoleculeGroupingClass
attributes:
id:
name: id
title: id
from_schema: https://w3id.org/chemrof
mappings:
- schema:identifier
rank: 1000
is_a: information_property
identifier: true
alias: id
owner: GeneralizedMolecularStructureClass
domain_of:
- DomainEntity
- GroupingClass
- ChemicalGroupingClass
range: string
required: true
owl_subclass_of:
name: owl_subclass_of
description: 'Holds between C and P if C owl:subClassOf P. Note that in this model,
most classes are metaclasses (see ''owl class''), where these metaclasses may
represent *groupings* or specific countable elements or species. We provide
two different sub-properties of subclass of for two cases: (1) subtype_of, which
connects grouping classes (e.g. alkane is_a hydrocarbon; alpha-amino-acid is_a
amino-acid), (2) classified_by, which connects a specific element to a grouping
class (e.g. methane is_a hydrocarbon; iron is_a metal; serine is_a amino-acid)'
title: owl subclass of
from_schema: https://w3id.org/chemrof
aliases:
- is a
exact_mappings:
- rdfs:subClassOf
narrow_mappings:
- bo:family
rank: 1000
is_a: classification_relationship
mixin: true
domain: OwlClass
alias: owl_subclass_of
owner: GeneralizedMolecularStructureClass
domain_of:
- OwlClass
range: OwlClass
name:
name: name
description: name of chemical entity. E.g. nickel, carbon-16
title: name
from_schema: https://w3id.org/chemrof
close_mappings:
- bo:symbol
rank: 1000
is_a: information_property
slot_uri: rdfs:label
alias: name
owner: GeneralizedMolecularStructureClass
domain_of:
- DomainEntity
- GroupingClass
- Atom
- AtomOccurrence
range: string
subtype_of:
name: subtype_of
description: grouping classes can be arranged in hierarchies arbitrarily deep.
Note that subtype_of should only connect two grouping classes
title: subtype of
from_schema: https://w3id.org/chemrof
rank: 1000
is_a: chemical_to_chemical_relationship
domain: OwlClass
alias: subtype_of
owner: GeneralizedMolecularStructureClass
domain_of:
- GroupingClass
range: MoleculeGroupingClass
required: false
multivalued: true