MLchartDataset catalogue

InChIKey

Term · Chemistry · MLC-T-CHM-005754

A condensed, fixed-length, 27-character alphanumeric identifier derived from the International Chemical Identifier (InChI) of a chemical substance. It is generated by a cryptographic hashing algorithm applied to the InChI string. The InChIKey provides a concise and unique label for chemical structures, facilitating rapid searching and linking of chemical information across databases.

Table 1. Record
IdentifierMLC-T-CHM-005754
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 248 (https://doi.org/10.1515/pac-2012-1204)
See alsoInternational Chemical Identifier; Hashing
Record as JSON
{
  "id": "MLC-T-CHM-005754",
  "term": "InChIKey",
  "field": "Chemistry",
  "definition": "A condensed, fixed-length, 27-character alphanumeric identifier derived from the International Chemical Identifier (InChI) of a chemical substance. It is generated by a cryptographic hashing algorithm applied to the InChI string. The InChIKey provides a concise and unique label for chemical structures, facilitating rapid searching and linking of chemical information across databases.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "International Chemical Identifier",
    "hashing"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 248 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/inchikey/"
}

Record 6,103 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.