Class: atom grouping by periodic table block (AtomGroupingByPeriodicTableBlock)
Example: group 13 atom
URI: chemrof:AtomGroupingByPeriodicTableBlock
classDiagram
class AtomGroupingByPeriodicTableBlock
click AtomGroupingByPeriodicTableBlock href "../AtomGroupingByPeriodicTableBlock"
AtomGroupingByPeriodicTablePlacement <|-- AtomGroupingByPeriodicTableBlock
click AtomGroupingByPeriodicTablePlacement href "../AtomGroupingByPeriodicTablePlacement"
AtomGroupingByPeriodicTableBlock : id
AtomGroupingByPeriodicTableBlock : in_periodic_table_block
AtomGroupingByPeriodicTableBlock --> "0..1" PeriodicTableBlockEnum : in_periodic_table_block
click PeriodicTableBlockEnum href "../PeriodicTableBlockEnum"
AtomGroupingByPeriodicTableBlock : markush_string
AtomGroupingByPeriodicTableBlock : name
AtomGroupingByPeriodicTableBlock : owl_subclass_of
AtomGroupingByPeriodicTableBlock --> "0..1" OwlClass : owl_subclass_of
click OwlClass href "../OwlClass"
AtomGroupingByPeriodicTableBlock : smarts_string
AtomGroupingByPeriodicTableBlock : subtype_of
AtomGroupingByPeriodicTableBlock --> "*" MoleculeGroupingClass : subtype_of
click MoleculeGroupingClass href "../MoleculeGroupingClass"
Inheritance
- GroupingClass [ OwlClass]
- PhysicochemicalEntityGroupingClass
- ChemicalGroupingClass [ OwlClass]
- AtomGroupingClass
- AtomGroupingByPeriodicTablePlacement
- AtomGroupingByPeriodicTableBlock
- AtomGroupingByPeriodicTablePlacement
- AtomGroupingClass
- ChemicalGroupingClass [ OwlClass]
- PhysicochemicalEntityGroupingClass
Slots
Name | Cardinality and Range | Description | Inheritance |
---|---|---|---|
in_periodic_table_block | 0..1 PeriodicTableBlockEnum |
A block of the periodic table is a set of elements unified by the orbitals th... | direct |
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 |
A subtype_of relationship holds between C and P if C is a more specialized fo... | GroupingClass |
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/chemrof
Mappings
Mapping Type | Mapped Value |
---|---|
self | chemrof:AtomGroupingByPeriodicTableBlock |
native | chemrof:AtomGroupingByPeriodicTableBlock |
LinkML Source
Direct
name: AtomGroupingByPeriodicTableBlock
description: 'Example: group 13 atom'
title: atom grouping by periodic table block
from_schema: https://w3id.org/chemrof
is_a: AtomGroupingByPeriodicTablePlacement
slots:
- in_periodic_table_block
defining_slots:
- in_periodic_table_block
Induced
name: AtomGroupingByPeriodicTableBlock
description: 'Example: group 13 atom'
title: atom grouping by periodic table block
from_schema: https://w3id.org/chemrof
is_a: AtomGroupingByPeriodicTablePlacement
attributes:
in_periodic_table_block:
name: in_periodic_table_block
description: A block of the periodic table is a set of elements unified by the
orbitals their valence electrons or vacancies lie in
title: in periodic table block
from_schema: https://w3id.org/chemrof
rank: 1000
alias: in_periodic_table_block
owner: AtomGroupingByPeriodicTableBlock
domain_of:
- AtomGroupingByPeriodicTableBlock
- ChemicalElement
range: PeriodicTableBlockEnum
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: AtomGroupingByPeriodicTableBlock
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: AtomGroupingByPeriodicTableBlock
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: AtomGroupingByPeriodicTableBlock
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: AtomGroupingByPeriodicTableBlock
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: AtomGroupingByPeriodicTableBlock
domain_of:
- DomainEntity
- GroupingClass
- Atom
- AtomOccurrence
range: string
subtype_of:
name: subtype_of
description: A subtype_of relationship holds between C and P if C is a more specialized
form of P. Here C and P denotes instances of OWL classes, where C and P both
function as grouping class
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: AtomGroupingByPeriodicTableBlock
domain_of:
- GroupingClass
range: MoleculeGroupingClass
required: false
multivalued: true
defining_slots:
- in_periodic_table_block