{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Pascazio L"],"funding":["Cambridge Trust","Fitzwilliam College, University of Cambridge","Alexander von Humboldt-Stiftung","National Research Foundation Singapore","Alan Turing Institute","Engineering and Physical Sciences Research Council"],"pagination":["6569-6586"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10647085"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["63(21)"],"pubmed_abstract":["Web ontologies are important tools in modern scientific research because they provide a standardized way to represent and manage web-scale amounts of complex data. In chemistry, a semantic database for chemical species is indispensable for its ability to interrelate and infer relationships, enabling a more precise analysis and prediction of chemical behavior. This paper presents OntoSpecies, a web ontology designed to represent chemical species and their properties. The ontology serves as a core component of The World Avatar knowledge graph chemistry domain and includes a wide range of identifiers, chemical and physical properties, chemical classifications and applications, and spectral information associated with each species. The ontology includes provenance and attribution metadata, ens"],"journal":["Journal of chemical information and modeling"],"pubmed_title":["Chemical Species Ontology for Data Integration and Knowledge Discovery."],"pmcid":["PMC10647085"],"funding_grant_id":["EP/W037211/1"],"pubmed_authors":["Naseri A","Kraft M","Akroyd J","Rihm S","Pascazio L","Mosbach S"],"additional_accession":[]},"is_claimable":false,"name":"Chemical Species Ontology for Data Integration and Knowledge Discovery.","description":"Web ontologies are important tools in modern scientific research because they provide a standardized way to represent and manage web-scale amounts of complex data. In chemistry, a semantic database for chemical species is indispensable for its ability to interrelate and infer relationships, enabling a more precise analysis and prediction of chemical behavior. This paper presents OntoSpecies, a web ontology designed to represent chemical species and their properties. The ontology serves as a core component of The World Avatar knowledge graph chemistry domain and includes a wide range of identifiers, chemical and physical properties, chemical classifications and applications, and spectral information associated with each species. The ontology includes provenance and attribution metadata, ens","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Nov","modification":"2026-06-01T08:38:44.65Z","creation":"2025-04-06T15:29:14.711Z"},"accession":"S-EPMC10647085","cross_references":{"pubmed":["37883649"],"doi":["10.1021/acs.jcim.3c00820"]}}