Vocabulary Mappings

A crosswalk from the controlled vocabulary used to annotate brick columns to terms in established public ontologies — ChemInf, OBO Foundry, identifiers.org, and schema.org. When a curated dataset labels a column CAS or SMILES, the mapping resolves it to a stable URI, so RDF consumers can interpret the column as a well-known chemical or biological concept without any out-of-band knowledge.

Vocabulary Mappings

Vocabulary mappings for Vocabulary Mappings
LabelExternal URIDescription
anatomy Anatomical Entityhttp://purl.obolibrary.org/obo/UBERON_0001062
assay Assay Namehttp://purl.obolibrary.org/obo/OBI_0000070
assay type Assay Typehttp://purl.obolibrary.org/obo/OBI_0600020
CAS CAS Registry Numberhttp://semanticscience.org/resource/CHEMINF_000446Chemical Abstracts Service registry number.
ChEBI ID ChEBI IDhttp://purl.obolibrary.org/obo/CHEBI_
ChEMBL ID ChEMBL Compound IDhttp://identifiers.org/chembl.compound/
country Countryhttp://schema.org/addressCountry
dbSNP ID dbSNP IDhttp://identifiers.org/dbsnp/
DOI DOIhttp://purl.org/ontology/bibo/doiDigital Object Identifier.
DrugBank ID DrugBank IDhttp://identifiers.org/drugbank/
DTXSID DSSTox Substance IDhttp://identifiers.org/dtxsid/EPA CompTox Chemicals Dashboard substance identifier.
EC number EC Numberhttp://semanticscience.org/resource/CHEMINF_000447European Community number (EINECS/ELINCS).
EC50 EC50 Valuehttp://purl.obolibrary.org/obo/OBI_0001811Half-maximal effective concentration.
endpoint Endpoint Measurehttp://purl.obolibrary.org/obo/OBI_0000750
Ensembl gene ID Ensembl Gene IDhttp://identifiers.org/ensembl/
gene symbol Gene Symbolhttp://purl.obolibrary.org/obo/SO_0000704
GO term ID Gene Ontology Termhttp://purl.obolibrary.org/obo/GO_
HBA Hydrogen Bond Acceptor Counthttp://semanticscience.org/resource/CHEMINF_000388
heavy atom count Heavy Atom Counthttp://semanticscience.org/resource/CHEMINF_000300
HGNC ID HGNC IDhttp://identifiers.org/hgnc/
IC50 IC50 Valuehttp://purl.obolibrary.org/obo/OBI_0001235Half-maximal inhibitory concentration.
InChI InChIhttp://semanticscience.org/resource/CHEMINF_000113IUPAC International Chemical Identifier.
InChIKey InChIKeyhttp://semanticscience.org/resource/CHEMINF_000059Hashed InChI for fast lookup.
IUPAC name IUPAC Namehttp://semanticscience.org/resource/CHEMINF_000107Systematic IUPAC chemical name.
Ki Ki Valuehttp://purl.obolibrary.org/obo/OBI_0001236Inhibition constant.
LD50 LD50 Valuehttp://purl.obolibrary.org/obo/OBI_0002135Median lethal dose.
logP Partition Coefficient (LogP)http://semanticscience.org/resource/CHEMINF_000251
molecular formula Molecular Formulahttp://semanticscience.org/resource/CHEMINF_000042Empirical molecular formula.
MW Molecular Weighthttp://semanticscience.org/resource/CHEMINF_000216
name Namehttp://schema.org/nameCommon or trade name.
NCBI gene ID NCBI Gene IDhttp://identifiers.org/ncbigene/
NCBI taxon ID NCBI Taxonomy IDhttp://purl.obolibrary.org/obo/NCBITaxon_
PDB ID PDB IDhttp://identifiers.org/pdb/
PMID PubMed IDhttp://identifiers.org/pubmed/
PubChem CID PubChem Compound IDhttp://identifiers.org/pubchem.compound/
PubChem SID PubChem Substance IDhttp://identifiers.org/pubchem.substance/
rotatable bonds Rotatable Bond Counthttp://semanticscience.org/resource/CHEMINF_000311
route Route of Administrationhttp://purl.obolibrary.org/obo/OBI_0000968
sex Sexhttp://purl.obolibrary.org/obo/PATO_0000047
SMILES SMILEShttp://semanticscience.org/resource/CHEMINF_000018Simplified Molecular Input Line Entry System notation.
solubility Aqueous Solubilityhttp://semanticscience.org/resource/CHEMINF_000256
species Species Namehttp://purl.obolibrary.org/obo/OBI_0100026
strain Strainhttp://purl.obolibrary.org/obo/OBI_0000272
synonym Synonymhttp://www.w3.org/2004/02/skos/core#altLabelAlternative name for an entity.
TPSA Topological Polar Surface Areahttp://semanticscience.org/resource/CHEMINF_000308
UniProt ID UniProt IDhttp://identifiers.org/uniprot/
unit Unit of Measurementhttp://purl.obolibrary.org/obo/UO_0000000
year Yearhttp://purl.org/dc/terms/date