Structural keys

{
  "id": "MLC-T-CHM-011493",
  "term": "Structural keys",
  "field": "Chemistry",
  "definition": "A type of molecular fingerprint representing the presence or absence of predefined chemical substructures or fragments within a molecule. These binary vectors are used in cheminformatics for rapid similarity searching, database screening, and substructure searching. Each bit in the key corresponds to a specific structural feature.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "molecular fingerprints",
    "similarity searching",
    "substructure searching"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 257 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/structural-keys/"
}