PBPK Ontology (PBPKO)
The PBPK (Physiologically-Based Pharmacokinetic) ontology is designed to support the modeling and understanding of pharmacokinetics in biological systems. This documentation provides an overview of the ontology development workflow, the imported ontologies, and the specific terms used in PBPK ontology.
Detailed Documentation
Detailed documentation of ontology can be found at this link
Development Workflow
The development of the PBPK ontology leverages the ROBOT (ROBOT is an OBO Tool) framework, which provides powerful tools for ontology development, including ontology merging, reasoning, and template-based term generation.
Ontology Imports
The PBPKO ontology imports several foundational ontologies to ensure interoperability and adherence to ontological best practices:
Basic Formal Ontology (BFO)
Relation Ontology (RO)
Gene Ontology (GO)
Ontology for Biomedical Investigations (OBI)
Systems Biology Ontology
Integration with BFO
graph TB
%% Legend
subgraph Legend
direction TB
class_legend((Class))
subclass_legend-.->class_legend
property_legend((Object Property))
property_legend--"Object Property"-->class_legend
end
%% Ontology Imports (BFO, OBI, GO, SBO)
subgraph Imported_Ontologies["Imported Ontologies"]
direction LR
subgraph BFO["BFO"]
direction TB
BFO_0000002((BFO:entity))
BFO_0000020((BFO:continuant))
BFO_0000051---BFO_0000020("has_part")
BFO_specifically_dependent((BFO:specifically dependent continuant))
BFO_occurrent((BFO:occurrent))
BFO_process((BFO:process))
end
subgraph OBI["OBI"]
direction TB
OBI_0000658((OBI:data representation model))
end
subgraph GO["GO"]
direction TB
GO_0008150((GO:biological process))
GO_0007588((GO:excretion))
GO_0008150---GO_0007588
end
subgraph SBO["SBO"]
direction TB
SBO_0000027((SBO:Michaelis constant))
end
%% Links between imported ontologies
BFO_0000002---BFO_0000020
BFO_0000020---BFO_specifically_dependent
BFO_0000002---BFO_occurrent
BFO_occurrent---BFO_process
BFO_process---GO_0008150
BFO_specifically_dependent---OBI_0000658
end
%% PBPKO Main Classes
subgraph PBPKO["PBPK Ontology (PBPKO)"]
direction TB
subgraph Core_Components
direction TB
PBPKO_00003((PBPKO:physiologically based pharmacokinetic model))
PBPKO_00446((PBPKO:compartment))
PBPKO_00217((PBPKO:transporter))
%% PBPKO_enzyme - derived from definitions/context
PBPKO_enzyme((PBPKO:enzyme))
end
subgraph Biological_Processes
direction TB
PBPKO_00140((PBPKO:absorption))
PBPKO_00146((PBPKO:distribution))
%% Corrected parent based on definition
PBPKO_00322((PBPKO:elimination))
PBPKO_00188((PBPKO:metabolism))
PBPKO_00238((PBPKO:biliary elimination))
end
subgraph Parameters
direction TB
PBPKO_00002((PBPKO:parameter))
PBPKO_00006((PBPKO:physiological parameter))
PBPKO_00126((PBPKO:physicochemical parameter))
PBPKO_00139((PBPKO:biochemical parameter))
PBPKO_00239((PBPKO:route of exposure))
PBPKO_00252((PBPKO:output parameter))
end
%% PBPKO Hierarchy
OBI_0000658---PBPKO_00003
OBI_0000658---PBPKO_00446
BFO_0000002---PBPKO_00217
BFO_0000002---PBPKO_enzyme
GO_0008150---PBPKO_00140
GO_0008150---PBPKO_00146
GO_0008150---PBPKO_00322
GO_0008150---PBPKO_00188
PBPKO_00322---GO_0007588
PBPKO_00322---PBPKO_00238
BFO_specifically_dependent---PBPKO_00002
PBPKO_00002---PBPKO_00006
PBPKO_00002---PBPKO_00126
PBPKO_00002---PBPKO_00139
PBPKO_00002---PBPKO_00239
PBPKO_00002---PBPKO_00252
PBPKO_00139---SBO_0000027
%% Example Subclasses
PBPKO_00006---PBPKO_vol((PBPKO:volume of compartment))
PBPKO_00006---PBPKO_bf((PBPKO:blood flow to compartment))
PBPKO_00139---PBPKO_pc((PBPKO:partition coefficient))
PBPKO_00139---PBPKO_uf((PBPKO:unbound fraction))
PBPKO_00126---PBPKO_mw((PBPKO:molecular weight))
PBPKO_00446---PBPKO_central((PBPKO:central compartment))
PBPKO_00446---PBPKO_peripheral((PBPKO:peripheral compartment))
PBPKO_00446---PBPKO_liver_cpt((PBPKO:liver compartment))
PBPKO_00446---PBPKO_kidney_cpt((PBPKO:kidney compartment))
PBPKO_00252---PBPKO_conc_cpt((PBPKO:concentration of compound in compartment))
PBPKO_00252---PBPKO_amount_cpt((PBPKO:amount of compound in compartment))
PBPKO_00252---PBPKO_peak_conc((PBPKO:peak concentration))
PBPKO_00252---PBPKO_auc((PBPKO:area under curve))
end
%% PBPKO Object Properties
PBPKO_00003--"has_biological_process (PBPKO_10001)"-->PBPKO_00140
PBPKO_00003--"has_biological_process (PBPKO_10001)"-->PBPKO_00146
PBPKO_00003--"has_biological_process (PBPKO_10001)"-->PBPKO_00322
PBPKO_00003--"has_biological_process (PBPKO_10001)"-->PBPKO_00188
PBPKO_00003--"has_compartment (PBPKO_10002)"-->PBPKO_00446
PBPKO_00003--"has_transporter (PBPKO_10004)"-->PBPKO_00217
%% Using the general has_parameter property
PBPKO_00003--"has_parameter (PBPKO_10005)"-->PBPKO_00006
PBPKO_00003--"has_parameter (PBPKO_10005)"-->PBPKO_00126
PBPKO_00003--"has_parameter (PBPKO_10005)"-->PBPKO_00139
PBPKO_00003--"has_parameter (PBPKO_10005)"-->PBPKO_00239
PBPKO_00003--"has_parameter (PBPKO_10005)"-->PBPKO_00252
%% Example of object property subclass
PBPKO_10005---PBPKO_10008((PBPKO:has_physiological_parameter))
PBPKO_10008--"has_physiological_parameter"-->PBPKO_00006
%% Link object properties to their domain
BFO_0000051((BFO:has_part))
%% Link PBPKO properties to their superproperty
BFO_0000051---PBPKO_10001
BFO_0000051---PBPKO_10002
BFO_0000051---PBPKO_10004
BFO_0000051---PBPKO_10005
PBPK Terms Vocabulary
PBPK terms are available in ROBOT template
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