@prefix bioregistry: <https://bioregistry.io/registry/> .
@prefix bioregistry.schema: <https://bioregistry.io/schema/#> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcterms: <http://purl.org/dc/terms/> .
@prefix doap: <http://usefulinc.com/ns/doap#> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix orcid: <https://orcid.org/> .
@prefix rdfs: <http://www.w3.org/2000/01/rdf-schema#> .
@prefix sh: <http://www.w3.org/ns/shacl#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

bioregistry:bioregistry dcterms:hasPart bioregistry:ontoiochem .

bioregistry:ontoiochem a sh:PrefixDeclaration,
        bioregistry.schema:0000001 ;
    rdfs:label "OntoIochem Core Ontology" ;
    dcterms:contributor orcid:0000-0003-4423-4370 ;
    dcterms:description "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)"^^xsd:string ;
    dcterms:isPartOf bioregistry:bioregistry ;
    doap:GitRepository "https://github.com/gabisdias/ontoioChem"^^xsd:anyURI ;
    doap:maintainer orcid:0000-0003-3763-1917 ;
    dcat:keyword "computational chemistry",
        "ontology" ;
    sh:namespace "http://purl.org/iochem/ontoiochem#"^^xsd:anyURI ;
    sh:prefix "ontoiochem" ;
    foaf:homepage "http://purl.org/iochem/ontoiochem"^^xsd:anyURI ;
    bioregistry.schema:0000005 "ADF"^^xsd:string ;
    bioregistry.schema:0000006 "http://purl.org/iochem/ontoiochem#$1"^^xsd:string ;
    bioregistry.schema:0000010 "https://github.com/gabisdias/ontoioChem/raw/refs/heads/main/ontology/ontoiochem.owl"^^xsd:anyURI ;
    bioregistry.schema:0000012 false ;
    bioregistry.schema:0000017 bioregistry:gainesville.core,
        bioregistry:iochem ;
    bioregistry.schema:0000027 <http://purl.org/iochem/ontoiochem#ADF> .

orcid:0000-0003-3763-1917 rdfs:label "Gabriela Dias-da-Silva" .

orcid:0000-0003-4423-4370 rdfs:label "Charles Tapley Hoyt" ;
    foaf:mbox "cthoyt@gmail.com" .