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Supported SDF keys

Łukasz Szeremeta edited this page Apr 16, 2021 · 3 revisions

SDFEater supports the following keys for turtle, ntriples, rdfxml, rdfthrift, jsonldhtml, jsonld, rdfa, and microdata output formats:

  • ChEBI ID, DATABASE_ID, and DRUGBANK_ID,
  • SMILES,
  • Formulae and FORMULA,
  • Definition,
  • InChIKey and INCHI_KEY,
  • InChI and INCHI_IDENTIFIER,
  • Mass and MOLECULAR_WEIGHT,
  • IUPAC Names and JCHEM_IUPAC,
  • CAS Registry Numbers and CAS_NUMBER,
  • Synonyms and SYNONYMS,
  • ChEBI Name, COMMON_NAME, and GENERIC_NAME.

Supported MolecularEntitly properties

  • url,
  • smiles,
  • molecularFormula,
  • description,
  • inChIKey,
  • inChI,
  • molecularWeight,
  • iupacName,
  • identifier,
  • alternateName,
  • name.
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