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Class: QSARModel

Quantitative Structure-Activity Relationship models that predict chemical/biological activity from molecular structure.

URI: namo:QSARModel

classDiagram class QSARModel click QSARModel href "../QSARModel/" InSilicoModel <|-- QSARModel click InSilicoModel href "../InSilicoModel/" QSARModel : activity_endpoint QSARModel : biological_organization_level QSARModel --> "0..1" BiologicalOrganizationLevelEnum : biological_organization_level click BiologicalOrganizationLevelEnum href "../BiologicalOrganizationLevelEnum/" QSARModel : complexity_level QSARModel --> "0..1" ComplexityLevelEnum : complexity_level click ComplexityLevelEnum href "../ComplexityLevelEnum/" QSARModel : computational_method QSARModel : description QSARModel : id QSARModel : model_performance QSARModel --> "0..1" ModelPerformance : model_performance click ModelPerformance href "../ModelPerformance/" QSARModel : models QSARModel --> "*" ModelsRelationship : models click ModelsRelationship href "../ModelsRelationship/" QSARModel : molecular_descriptors QSARModel : name QSARModel : prediction_scope QSARModel : references QSARModel --> "*" Reference : references click Reference href "../Reference/" QSARModel : software_platform QSARModel : spatial_context QSARModel : training_dataset_size QSARModel : type QSARModel : validation_datasets

Inheritance

Slots

Name Cardinality and Range Description Inheritance
molecular_descriptors *
String		 Types of molecular descriptors used (topological, electronic, etc direct
activity_endpoint 0..1
String		 Biological activity or property being predicted direct
training_dataset_size 0..1
Integer		 Number of compounds in training dataset direct
model_performance 0..1
ModelPerformance		 Statistical performance metrics of the model direct
computational_method 0..1
String		 Primary computational method or algorithm used InSilicoModel
software_platform 0..1
String		 Software platform or programming language used InSilicoModel
validation_datasets *
String		 Datasets used for model training and validation InSilicoModel
prediction_scope 0..1
String		 Scope and limitations of model predictions InSilicoModel
biological_organization_level 0..1
BiologicalOrganizationLevelEnum		 The level of biological organization represented by the model NAMModel
spatial_context 0..1
String		 Description of spatial organization and context captured by the model NAMModel
complexity_level 0..1
ComplexityLevelEnum		 Level of biological complexity represented (subcellular, cellular, tissue, or... NAMModel
references *
Reference		 Literature references that describe, validate, or support this model NAMModel
models *
ModelsRelationship		 ModelSystem
id 1
Uriorcurie		 A unique identifier for a thing NamedThing
name 0..1
String		 A human-readable name for a thing NamedThing
description 0..1
String		 A human-readable description for a thing NamedThing
type 0..1
String		 NamedThing

Identifier and Mapping Information

Schema Source

  • from schema: https://w3id.org/monarch-initiative/namo

Mappings

Mapping Type Mapped Value
self namo:QSARModel
native namo:QSARModel

LinkML Source

Direct

name: QSARModel
description: Quantitative Structure-Activity Relationship models that predict  chemical/biological
  activity from molecular structure.
from_schema: https://w3id.org/monarch-initiative/namo
is_a: InSilicoModel
attributes:
  molecular_descriptors:
    name: molecular_descriptors
    description: Types of molecular descriptors used (topological, electronic, etc.)
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    domain_of:
    - QSARModel
    multivalued: true
  activity_endpoint:
    name: activity_endpoint
    description: Biological activity or property being predicted
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    domain_of:
    - QSARModel
  training_dataset_size:
    name: training_dataset_size
    description: Number of compounds in training dataset
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    domain_of:
    - QSARModel
    range: integer
  model_performance:
    name: model_performance
    description: Statistical performance metrics of the model
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    domain_of:
    - QSARModel
    range: ModelPerformance
    inlined: true

Induced

name: QSARModel
description: Quantitative Structure-Activity Relationship models that predict  chemical/biological
  activity from molecular structure.
from_schema: https://w3id.org/monarch-initiative/namo
is_a: InSilicoModel
attributes:
  molecular_descriptors:
    name: molecular_descriptors
    description: Types of molecular descriptors used (topological, electronic, etc.)
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: molecular_descriptors
    owner: QSARModel
    domain_of:
    - QSARModel
    range: string
    multivalued: true
  activity_endpoint:
    name: activity_endpoint
    description: Biological activity or property being predicted
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: activity_endpoint
    owner: QSARModel
    domain_of:
    - QSARModel
    range: string
  training_dataset_size:
    name: training_dataset_size
    description: Number of compounds in training dataset
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: training_dataset_size
    owner: QSARModel
    domain_of:
    - QSARModel
    range: integer
  model_performance:
    name: model_performance
    description: Statistical performance metrics of the model
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: model_performance
    owner: QSARModel
    domain_of:
    - QSARModel
    range: ModelPerformance
    inlined: true
  computational_method:
    name: computational_method
    description: Primary computational method or algorithm used
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: computational_method
    owner: QSARModel
    domain_of:
    - InSilicoModel
    range: string
  software_platform:
    name: software_platform
    description: Software platform or programming language used
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: software_platform
    owner: QSARModel
    domain_of:
    - InSilicoModel
    range: string
  validation_datasets:
    name: validation_datasets
    description: Datasets used for model training and validation
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: validation_datasets
    owner: QSARModel
    domain_of:
    - InSilicoModel
    range: string
    multivalued: true
  prediction_scope:
    name: prediction_scope
    description: Scope and limitations of model predictions
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: prediction_scope
    owner: QSARModel
    domain_of:
    - InSilicoModel
    range: string
  biological_organization_level:
    name: biological_organization_level
    description: The level of biological organization represented by the model
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: biological_organization_level
    owner: QSARModel
    domain_of:
    - NAMModel
    range: BiologicalOrganizationLevelEnum
  spatial_context:
    name: spatial_context
    description: Description of spatial organization and context captured by the model
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: spatial_context
    owner: QSARModel
    domain_of:
    - NAMModel
    range: string
  complexity_level:
    name: complexity_level
    description: Level of biological complexity represented (subcellular, cellular,
      tissue, organ, system)
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: complexity_level
    owner: QSARModel
    domain_of:
    - NAMModel
    range: ComplexityLevelEnum
  references:
    name: references
    description: Literature references that describe, validate, or support this model
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: references
    owner: QSARModel
    domain_of:
    - NAMModel
    range: Reference
    multivalued: true
    inlined: true
    inlined_as_list: true
  models:
    name: models
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    alias: models
    owner: QSARModel
    domain_of:
    - ModelSystem
    range: ModelsRelationship
    multivalued: true
  id:
    name: id
    description: A unique identifier for a thing
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    slot_uri: schema:identifier
    identifier: true
    alias: id
    owner: QSARModel
    domain_of:
    - NamedThing
    - Reference
    range: uriorcurie
    required: true
  name:
    name: name
    description: A human-readable name for a thing
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    slot_uri: schema:name
    alias: name
    owner: QSARModel
    domain_of:
    - NamedThing
    range: string
  description:
    name: description
    description: A human-readable description for a thing
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    slot_uri: schema:description
    alias: description
    owner: QSARModel
    domain_of:
    - NamedThing
    range: string
  type:
    name: type
    from_schema: https://w3id.org/monarch-initiative/namo
    rank: 1000
    designates_type: true
    alias: type
    owner: QSARModel
    domain_of:
    - NamedThing
    range: string