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.
| Identifier | MLC-T-CHM-004638 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| 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) |
| See also | ISIS 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.