When you want to get to know and love your data

Translating between identifiers: R interface to the Chemical Translation Service (CTS)

–CTSgetR–

To enhance inference using  domain knowledge it is necessary to match your query to a database containing domain knowledge.

The Chemical Translation Service (CTS) can be used to translate between molecular identifiers for many (~400K) naturally occurring biological small molecules or metabolites, which enables

CTSgetR , is an easy to use R interface to CTS, which enables translation between the following repositories of biological domain knowledge:

  • “Chemical Name”
  • “InChIKey”
  • “InChI Code”
  • “PubChem CID”
  • “Pubchem SID”
  • “ChemDB”
  • “ZINC”
  • “Southern Research Institute”
  • “Specs”
  • “MolPort”
  • “ASINEX”
  • “ChemBank”
  • “MLSMR”
  • “Emory University Molecular Libraries Screening Center”
  • “ChemSpider”
  • “DiscoveryGate”
  • “Ambinter”
  • “Vitas-M Laboratory”
  • “ChemBlock”

Check out an example translation from the universal molecular identifier, InchiKey, to the well referenced  PubChem Chemical Identifier (CID)

HERE.

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