MLchartDataset catalogue

Fragment keys

Term · Chemistry · MLC-T-CHM-004638

A type of structural descriptor used in cheminformatics, consisting of a predefined set of molecular substructures or patterns. These keys are typically represented as a bit string, where each bit corresponds to the presence or absence of a specific fragment within a molecule. They are employed for rapid similarity searching, substructure searching, and compound classification in chemical databases.

Table 1. Record
IdentifierMLC-T-CHM-004638
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 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)
See alsoISIS keys; Bit string
Record as JSON
{
  "id": "MLC-T-CHM-004638",
  "term": "Fragment keys",
  "field": "Chemistry",
  "definition": "A type of structural descriptor used in cheminformatics, consisting of a predefined set of molecular substructures or patterns. These keys are typically represented as a bit string, where each bit corresponds to the presence or absence of a specific fragment within a molecule. They are employed for rapid similarity searching, substructure searching, and compound classification in chemical databases.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "ISIS keys",
    "bit string"
  ],
  "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/fragment-keys/"
}

Record 4,915 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.