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Class: chemical grouping by charge (ChemicalGroupingByCharge)

A grouping class that refines a charge-neutral entity

URI: chemrof:ChemicalGroupingByCharge

 classDiagram
    class ChemicalGroupingByCharge
    click ChemicalGroupingByCharge href "../ChemicalGroupingByCharge"
      ChemicalGroupingClass <|-- ChemicalGroupingByCharge
        click ChemicalGroupingClass href "../ChemicalGroupingClass"

      ChemicalGroupingByCharge : id

      ChemicalGroupingByCharge : markush_string

      ChemicalGroupingByCharge : name

      ChemicalGroupingByCharge : owl_subclass_of




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


      ChemicalGroupingByCharge : smarts_string

      ChemicalGroupingByCharge : subtype_of




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


Inheritance

Slots

Name Cardinality and Range Description Inheritance
id 1
String
ChemicalGroupingClass, GroupingClass
smarts_string 0..1
ChemicalEncoding
a molecular pattern matching language, related to the popular SMILES molecula... ChemicalGroupingClass
markush_string 0..1
ChemicalEncoding
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
subtype_of *
MoleculeGroupingClass
grouping classes can be arranged in hierarchies arbitrarily deep GroupingClass

Examples

Value
copper cation

Identifier and Mapping Information

Schema Source

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

Mappings

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

LinkML Source

Direct

name: ChemicalGroupingByCharge
description: A grouping class that refines a charge-neutral entity
title: chemical grouping by charge
examples:
- value: copper cation
from_schema: https://w3id.org/chemrof
is_a: ChemicalGroupingClass
slot_usage:
  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
    range: MoleculeGroupingClass
  has_charge_state:
    name: has_charge_state
    range: uriorcurie
  charge_agnostic_entity:
    name: charge_agnostic_entity
    range: ChemicalEntity

Induced

name: ChemicalGroupingByCharge
description: A grouping class that refines a charge-neutral entity
title: chemical grouping by charge
examples:
- value: copper cation
from_schema: https://w3id.org/chemrof
is_a: ChemicalGroupingClass
slot_usage:
  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
    range: MoleculeGroupingClass
  has_charge_state:
    name: has_charge_state
    range: uriorcurie
  charge_agnostic_entity:
    name: charge_agnostic_entity
    range: ChemicalEntity
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: ChemicalGroupingByCharge
    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: ChemicalGroupingByCharge
    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: ChemicalGroupingByCharge
    domain_of:
    - ChemicalGroupingClass
    range: ChemicalEncoding
  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: ChemicalGroupingByCharge
    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: ChemicalGroupingByCharge
    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
    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: ChemicalGroupingByCharge
    domain_of:
    - GroupingClass
    range: MoleculeGroupingClass
    required: false
    multivalued: true