Class: molecular derivative grouping class (MolecularDerivativeGroupingClass)
A grouping class defined as a derivative of another molecule or molecular grouping class
URI: chemrof:MolecularDerivativeGroupingClass
classDiagram
class MolecularDerivativeGroupingClass
click MolecularDerivativeGroupingClass href "../MolecularDerivativeGroupingClass"
MoleculeGroupingClass <|-- MolecularDerivativeGroupingClass
click MoleculeGroupingClass href "../MoleculeGroupingClass"
MolecularDerivativeGroupingClass : derivative_of
MolecularDerivativeGroupingClass --> "0..1" DomainEntity : derivative_of
click DomainEntity href "../DomainEntity"
MolecularDerivativeGroupingClass : id
MolecularDerivativeGroupingClass : markush_string
MolecularDerivativeGroupingClass : name
MolecularDerivativeGroupingClass : owl_subclass_of
MolecularDerivativeGroupingClass --> "0..1" OwlClass : owl_subclass_of
click OwlClass href "../OwlClass"
MolecularDerivativeGroupingClass : smarts_string
MolecularDerivativeGroupingClass : subtype_of
MolecularDerivativeGroupingClass --> "*" MoleculeGroupingClass : subtype_of
click MoleculeGroupingClass href "../MoleculeGroupingClass"
Inheritance
- GroupingClass [ OwlClass]
- PhysicochemicalEntityGroupingClass
- ChemicalGroupingClass [ OwlClass]
- MoleculeGroupingClass
- MolecularDerivativeGroupingClass
- MoleculeGroupingClass
- ChemicalGroupingClass [ OwlClass]
- PhysicochemicalEntityGroupingClass
Slots
Name | Cardinality and Range | Description | Inheritance |
---|---|---|---|
derivative_of | 0..1 DomainEntity |
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 |
grouping classes can be arranged in hierarchies arbitrarily deep | GroupingClass |
Examples
Value |
---|
oxoacid derivative |
D-ornithine derivative |
Identifier and Mapping Information
Schema Source
- from schema: https://w3id.org/chemrof
Mappings
Mapping Type | Mapped Value |
---|---|
self | chemrof:MolecularDerivativeGroupingClass |
native | chemrof:MolecularDerivativeGroupingClass |
LinkML Source
Direct
name: MolecularDerivativeGroupingClass
description: A grouping class defined as a derivative of another molecule or molecular
grouping class
title: molecular derivative grouping class
examples:
- value: oxoacid derivative
- value: D-ornithine derivative
from_schema: https://w3id.org/chemrof
is_a: MoleculeGroupingClass
slots:
- derivative_of
slot_usage:
name:
name: name
string_serialization: '{derivative_of.label} derivative'
classifies:
name: classifies
range: Molecule
defining_slots:
- derivative_of
Induced
name: MolecularDerivativeGroupingClass
description: A grouping class defined as a derivative of another molecule or molecular
grouping class
title: molecular derivative grouping class
examples:
- value: oxoacid derivative
- value: D-ornithine derivative
from_schema: https://w3id.org/chemrof
is_a: MoleculeGroupingClass
slot_usage:
name:
name: name
string_serialization: '{derivative_of.label} derivative'
classifies:
name: classifies
range: Molecule
attributes:
derivative_of:
name: derivative_of
title: derivative of
from_schema: https://w3id.org/chemrof
rank: 1000
is_a: alternate_form_of
domain: ChemicalEntity
alias: derivative_of
owner: MolecularDerivativeGroupingClass
domain_of:
- MolecularDerivativeGroupingClass
range: DomainEntity
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: MolecularDerivativeGroupingClass
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: MolecularDerivativeGroupingClass
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: MolecularDerivativeGroupingClass
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: MolecularDerivativeGroupingClass
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
string_serialization: '{derivative_of.label} derivative'
slot_uri: rdfs:label
alias: name
owner: MolecularDerivativeGroupingClass
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: MolecularDerivativeGroupingClass
domain_of:
- GroupingClass
range: MoleculeGroupingClass
required: false
multivalued: true
defining_slots:
- derivative_of