Functional class fingerprints

{
  "id": "MLC-T-CHM-004708",
  "term": "Functional class fingerprints",
  "field": "Chemistry",
  "definition": "A hashed circular fingerprint in which each atom is described by its functional role rather than its element, such as hydrophobic, hydrogen-bond donor, hydrogen-bond acceptor, or carrying a positive or negative charge, with the neighbourhood around it encoded out to a chosen diameter, as in FCFP4. Because atoms of similar function share an identifier, it groups molecules by pharmacophoric features and is used in similarity searching and activity modelling. It is the functional counterpart of the extended connectivity fingerprint, which encodes atom identity.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "circular fingerprints"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 247 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/functional-class-fingerprints/"
}