ChEBI.md

ChEBI - Chemical Entities of Biological Interest

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Ontology

Aspect	Description
Full Name	Chemical Entities of Biological Interest
Synonyms/Alternative Names	chebi_ontology
Ontology Acronym	ChEBI
Creator(s) & Issuing Organisation	Michael Ashburner & Pankaj Jaiswal.
Nature of Organisational Structure	ChEBI curation team

References

Aspect	Description
Organisational Website	https://www.ebi.ac.uk/chebi/init.do
Persistent URI of Ontology File	http://purl.obolibrary.org/obo/chebi.owl
Link to Documentation	Documentation available at organisational website (user manual, annotation manual, developer manual), but seem to have no permalinks, but are google documents
Link to Version directory	https://ftp.ebi.ac.uk/pub/databases/chebi/ontology/
Optional links (Papers, Repos,...)	Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res. More info on available formats etc.: https://www.ebi.ac.uk/chebi/downloadsForward.do

Ontology Modeling And Availability

Aspect	Description
Ontology Formats Provided	sdf; owl; obo; flat file; Oracle binary table dump; SQL table dump
Degree of Inference/Composition	not defined
License	Creative Commons 4.0 (CC BY 4.0)
Validated Resoning with	HermiT
Shortest reasoning time	128730 ms
Aligned with Top Level Ontology	OBO
Imports Ontology(ies)	only self
Prefixes used	obo;chebi;xsd;rdfs;xml;rdf;owl;oboInOwl;chebi1;chebi2;chebi3;chebi4
Class annotation types	rdfs:Label, obo:Definition (IAO_0000115)

Domain of Interest Represented (contained, related: broader/narrower, missing)

Aspect	Description
Top Level Ontology	related: narrower
Process Design, Energy and Cost Data	missing
Heat, Transport and Kinetic Data	missing
Characterisation Data	missing
Performance Data	missing
Operando Data	missing
Synthesis Data	missing
Process Modeling	missing
Material Modeling	related: narrower
Chemical Substance Modeling	contained
Photocatalysis	missing
Electrocatalysis	missing
Heterogenous catalysis	related: broader
Homogenous catalysis	related: broader
Biocatalysis	related: broader

Ontology Characteristics

Aspect	Description
Axioms	2928713
Logical	317346
Declaration	176920
Class count	176873
Object property count	10
Data property count	0
Individual count	0
Annotation Property count	37

Comments

contains plenty of substance names and short definition as string, as well as additional information on molecules like Average Mass, aligned partially to NIST,IUPAC, NC-IUBMB