Registry OntoIochem Core Ontology

OntoIochem is an ontology designed to provide a semantic layer for the ioChem-BD platform and to support the consistent representation, discovery, and interoperability of computational chemistry data. Its development builds upon existing semantic resources, including the Gainesville ontology, which provided an important foundation for the representation of computational chemistry concepts and terminology. OntoIochem describes four main conceptual areas: the Molecular Concept, representing molecular structures and the properties that characterize them; the Calculation Concept, representing computational methodologies, software tools, calculation metadata, and derived results; the Publication Concept, representing information associated with scientific publications and research outputs, including data collections and manuscripts; and auxiliary concepts, such as units of measurement and values, which support the precise and machine-readable representation of scientific information. OntoIochem is designed to align with established computational chemistry ontologies and commonly used scientific terminologies, promoting semantic interoperability, reuse, and integration with existing resources and scientific data ecosystems. (from ontology)

Prefix: ontoiochem
Keywords: computational chemistry ontology
Links: Homepage Repository OWL

Identifier Standards

Pattern for Local Unique Identifiers: Missing LUI pattern
Example Local Unique Identifier: ADF Resolve
Example CURIE: ontoiochem:ADF

Contacts

Contact: Gabriela Dias-da-Silva 0000-0003-3763-1917 gabisdias
Contributor: creator Charles Tapley Hoyt 0000-0003-4423-4370 cthoyt

Ontology

A summary of the relations in the Semantic Farm schema can be found here.

Depends On (2): gainesville.core iochem
In Collection (1): Ontologies4Chem 2026

Providers

Suggest

A provider turns a local unique identifiers from a resource into a URI. Many providers are also resolvable as URLs (i.e., they can be used in a web browser).

The local unique identifier ADF is used to demonstrate the providers available for OntoIochem Core Ontology. Some providers may use a different example, which is displayed in the table below. A guide for curating additional providers can be found here.

Provider Name	Provider Code	URI
OntoIochem Core Ontology	`ontoiochem`	http://purl.org/iochem/ontoiochem#ADF
Bioregistry	`bioregistry`	https://bioregistry.io/ontoiochem:ADF

This name annotation was originally annotated in Bioregistry and is redistributed under the CC0-1.0 license.

Get the name:

>>> import bioregistry as br
>>> br.get_name("ontoiochem")
'OntoIochem Core Ontology'

Get the homepage:

>>> import bioregistry as br
>>> br.get_homepage("ontoiochem")
'http://purl.org/iochem/ontoiochem'

Get the repository:

>>> import bioregistry as br
>>> br.get_repository("ontoiochem")
'https://github.com/gabisdias/ontoioChem'

Get the OWL download link:

>>> import bioregistry as br
>>> br.get_owl_download("ontoiochem")
'https://github.com/gabisdias/ontoioChem/raw/refs/heads/main/ontology/ontoiochem.owl'

Get the contact's name:

>>> import bioregistry as br
>>> br.get_contact_name("ontoiochem")
'Gabriela Dias-da-Silva'

Get the contact's GitHub handle:

>>> import bioregistry as br
>>> br.get_contact_github("ontoiochem")
'gabisdias'

Get the contact's ORCiD identifier:

>>> import bioregistry as br
>>> br.get_contact_orcid("ontoiochem")
'0000-0003-3763-1917'