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Class: grouping by genus and range restriction (GroupingByGenusAndRangeRestriction)

A grouping meta-pattern defined as the members of a genus class whose value for a given integer-valued data property (on_property) falls within a [min_value, max_value] range; either bound may be omitted. Renders to an OWL EquivalentClasses genus-differentia definition. Concrete groupings (e.g. long-chain fatty acyl-CoA) are supplied as data instances, not as schema subclasses.

URI: chemrof:GroupingByGenusAndRangeRestriction

 classDiagram
    class GroupingByGenusAndRangeRestriction
    click GroupingByGenusAndRangeRestriction href "../GroupingByGenusAndRangeRestriction/"
      MoleculeGroupingClass <|-- GroupingByGenusAndRangeRestriction
        click MoleculeGroupingClass href "../MoleculeGroupingClass/"

      GroupingByGenusAndRangeRestriction : cxsmiles_string

      GroupingByGenusAndRangeRestriction : description

      GroupingByGenusAndRangeRestriction : genus

      GroupingByGenusAndRangeRestriction : id

      GroupingByGenusAndRangeRestriction : markush_string

      GroupingByGenusAndRangeRestriction : max_value

      GroupingByGenusAndRangeRestriction : min_value

      GroupingByGenusAndRangeRestriction : name

      GroupingByGenusAndRangeRestriction : on_property

      GroupingByGenusAndRangeRestriction : owl_subclass_of





        GroupingByGenusAndRangeRestriction --> "0..1" OwlClass : owl_subclass_of
        click OwlClass href "../OwlClass/"



      GroupingByGenusAndRangeRestriction : smarts_string

      GroupingByGenusAndRangeRestriction : subtype_of





        GroupingByGenusAndRangeRestriction --> "*" MoleculeGroupingClass : subtype_of
        click MoleculeGroupingClass href "../MoleculeGroupingClass/"



Inheritance

Slots

Name Cardinality and Range Description Inheritance
genus 0..1
Uriorcurie
The genus (parent class) of a genus-differentia grouping definition direct
on_property 0..1
Uriorcurie
The data property that a differentia restriction quantifies over (e direct
min_value 0..1
Integer
The inclusive lower bound of a range-restriction grouping direct
max_value 0..1
Integer
The inclusive upper bound of a range-restriction grouping direct
id 1
String
GroupingClass, ChemicalGroupingClass
smarts_string 0..1
ChemicalEncoding
a molecular pattern matching language, related to the popular SMILES molecula... ChemicalGroupingClass
markush_string 0..1
ChemicalEncoding
ChemicalGroupingClass
cxsmiles_string 0..1
ChemicalEncoding
A ChemAxon Extended SMILES string that appends a feature block to a SMILES st... ChemicalGroupingClass
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
description 0..1
String
A human-readable textual description of an entity GroupingClass
subtype_of *
MoleculeGroupingClass
grouping classes can be arranged in hierarchies arbitrarily deep GroupingClass

Examples

Value
long-chain fatty acyl-CoA

Identifier and Mapping Information

Annotations

property value
owl.template EquivalentClasses(
{{id}}
ObjectIntersectionOf(
{{genus}}
DataSomeValuesFrom({{on_property}} DatatypeRestriction(xsd:integer{% if min_value is defined and min_value is not none and min_value != '' %} xsd:minInclusive "{{min_value}}"^^xsd:integer{% endif %}{% if max_value is defined and max_value is not none and max_value != '' %} xsd:maxInclusive "{{max_value}}"^^xsd:integer{% endif %}))
)
)

Schema Source

  • from schema: https://w3id.org/chemrof

Mappings

Mapping Type Mapped Value
self chemrof:GroupingByGenusAndRangeRestriction
native chemrof:GroupingByGenusAndRangeRestriction

LinkML Source

Direct

name: GroupingByGenusAndRangeRestriction
annotations:
  owl.template:
    tag: owl.template
    value: "EquivalentClasses(\n  {{id}}\n  ObjectIntersectionOf(\n    {{genus}}\n\
      \    DataSomeValuesFrom({{on_property}} DatatypeRestriction(xsd:integer{% if\
      \ min_value is defined and min_value is not none and min_value != '' %} xsd:minInclusive\
      \ \"{{min_value}}\"^^xsd:integer{% endif %}{% if max_value is defined and max_value\
      \ is not none and max_value != '' %} xsd:maxInclusive \"{{max_value}}\"^^xsd:integer{%\
      \ endif %}))\n  )\n)"
description: A grouping meta-pattern defined as the members of a genus class whose
  value for a given integer-valued data property (on_property) falls within a [min_value,
  max_value] range; either bound may be omitted. Renders to an OWL EquivalentClasses
  genus-differentia definition. Concrete groupings (e.g. long-chain fatty acyl-CoA)
  are supplied as data instances, not as schema subclasses.
title: grouping by genus and range restriction
examples:
- value: long-chain fatty acyl-CoA
  description: genus fatty acyl-CoA (CHEBI:37554), on_property carbon_number, 13 to
    22.
from_schema: https://w3id.org/chemrof
is_a: MoleculeGroupingClass
slots:
- genus
- on_property
- min_value
- max_value
slot_usage:
  classifies:
    name: classifies
    range: Molecule
defining_slots:
- genus
- on_property
- min_value
- max_value

Induced

name: GroupingByGenusAndRangeRestriction
annotations:
  owl.template:
    tag: owl.template
    value: "EquivalentClasses(\n  {{id}}\n  ObjectIntersectionOf(\n    {{genus}}\n\
      \    DataSomeValuesFrom({{on_property}} DatatypeRestriction(xsd:integer{% if\
      \ min_value is defined and min_value is not none and min_value != '' %} xsd:minInclusive\
      \ \"{{min_value}}\"^^xsd:integer{% endif %}{% if max_value is defined and max_value\
      \ is not none and max_value != '' %} xsd:maxInclusive \"{{max_value}}\"^^xsd:integer{%\
      \ endif %}))\n  )\n)"
description: A grouping meta-pattern defined as the members of a genus class whose
  value for a given integer-valued data property (on_property) falls within a [min_value,
  max_value] range; either bound may be omitted. Renders to an OWL EquivalentClasses
  genus-differentia definition. Concrete groupings (e.g. long-chain fatty acyl-CoA)
  are supplied as data instances, not as schema subclasses.
title: grouping by genus and range restriction
examples:
- value: long-chain fatty acyl-CoA
  description: genus fatty acyl-CoA (CHEBI:37554), on_property carbon_number, 13 to
    22.
from_schema: https://w3id.org/chemrof
is_a: MoleculeGroupingClass
slot_usage:
  classifies:
    name: classifies
    range: Molecule
attributes:
  genus:
    name: genus
    description: The genus (parent class) of a genus-differentia grouping definition.
      Members of the grouping are asserted to be members of this class; rendered as
      the first conjunct of the OWL class expression.
    title: genus
    from_schema: https://w3id.org/chemrof
    rank: 1000
    alias: genus
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - GroupingBySmarts
    - GroupingByGenusAndRangeRestriction
    - GroupingByGenusAndPropertyValue
    range: uriorcurie
  on_property:
    name: on_property
    description: The data property that a differentia restriction quantifies over
      (e.g. chemrof:carbon_number). Used by the generic grouping meta-patterns to
      build an OWL property restriction.
    title: on property
    from_schema: https://w3id.org/chemrof
    rank: 1000
    alias: on_property
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - GroupingByGenusAndRangeRestriction
    - GroupingByGenusAndPropertyValue
    range: uriorcurie
  min_value:
    name: min_value
    description: The inclusive lower bound of a range-restriction grouping. Omit for
      no lower bound.
    title: min value
    from_schema: https://w3id.org/chemrof
    rank: 1000
    alias: min_value
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - GroupingByGenusAndRangeRestriction
    range: integer
  max_value:
    name: max_value
    description: The inclusive upper bound of a range-restriction grouping. Omit for
      no upper bound.
    title: max value
    from_schema: https://w3id.org/chemrof
    rank: 1000
    alias: max_value
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - GroupingByGenusAndRangeRestriction
    range: integer
  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: GroupingByGenusAndRangeRestriction
    domain_of:
    - DomainEntity
    - GroupingClass
    - ChemicalGroupingClass
    range: string
    required: true
  smarts_string:
    name: smarts_string
    description: a molecular pattern matching language, related to the popular SMILES
      molecular language, that can be used to specify sub-structural patterns in molecules.
    title: smarts string
    examples:
    - value: '[#1,#6:60][C@@:6]12[CX4:7][CX4H2,CX4H0:8]([CX4H3,CX4H2,#1:80])([CX4H3,CX4H2,#1:81])[CX3:9](=[CX3H2:10])[C@@:11]1([C:1](=[O:2])[CX4,c:4][CX4,c:3][CX4,c,O,NX3!r3:5]2)[C:99]#[N:97]>>[C:10]#[C:9][*:8]([*:80])([*:81])[C:7][C@@:6]1([*:60])[*:5][*:3][*:4][C:1](=[O:2])[C:11]1[C:99]#[N:97]'
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: chemical_formula
    domain: ChemicalEntity
    alias: smarts_string
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - ChemicalGroupingClass
    range: ChemicalEncoding
  markush_string:
    name: markush_string
    from_schema: https://w3id.org/chemrof
    rank: 1000
    is_a: chemical_formula
    domain: ChemicalEntity
    alias: markush_string
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - ChemicalGroupingClass
    range: ChemicalEncoding
  cxsmiles_string:
    name: cxsmiles_string
    description: A ChemAxon Extended SMILES string that appends a feature block to
      a SMILES string to capture annotations such as atom labels, R-groups, S-groups,
      coordinates, radicals, and enhanced stereochemistry.
    title: CXSMILES string
    examples:
    - value: '[H][C@@](COC([*])=O)(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC([*])=O
        |$;;;;;_R1;;;;;;;;;;;;;;;;;;;;;;;;;_R2$|'
      description: CXSMILES for 1-phosphatidyl-1D-myo-inositol 3-phosphate (R1,R2)
    from_schema: https://w3id.org/chemrof
    see_also:
    - https://docs.chemaxon.com/latest/formats_chemaxon-extended-smiles-and-smarts-cxsmiles-and-cxsmarts.html
    aliases:
    - CXSMILES
    - ChemAxon extended SMILES
    - extended SMILES
    exact_mappings:
    - wd:P10718
    rank: 1000
    is_a: smiles_string
    domain: ChemicalEntity
    alias: cxsmiles_string
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - ChemicalEntity
    - ChemicalGroupingClass
    range: ChemicalEncoding
  owl_subclass_of:
    name: owl_subclass_of
    annotations:
      owl:
        tag: owl
        value: SubClassOf
    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: GroupingByGenusAndRangeRestriction
    domain_of:
    - OwlClass
    range: OwlClass
  name:
    name: name
    annotations:
      owl:
        tag: owl
        value: AnnotationAssertion
    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: GroupingByGenusAndRangeRestriction
    domain_of:
    - DomainEntity
    - GroupingClass
    - Atom
    - AtomOccurrence
    range: string
  description:
    name: description
    description: A human-readable textual description of an entity.
    title: description
    from_schema: https://w3id.org/chemrof
    rank: 1000
    slot_uri: dcterms:description
    alias: description
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - GroupingClass
    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
    aliases:
    - metasubclass of
    exact_mappings:
    - wd:P2445
    narrow_mappings:
    - rdfs:subClassOf
    rank: 1000
    is_a: chemical_to_chemical_relationship
    mixins:
    - owl_subclass_of
    domain: OwlClass
    alias: subtype_of
    owner: GroupingByGenusAndRangeRestriction
    domain_of:
    - GroupingClass
    range: MoleculeGroupingClass
    required: false
    multivalued: true
defining_slots:
- genus
- on_property
- min_value
- max_value