Kappa shape descriptor
Term · Chemistry · MLC-T-CHM-006302
A topological index used in cheminformatics to quantify molecular shape and branching. It is derived from the connectivity of atoms within a molecule, reflecting the degree of branching and cyclicity. These descriptors are employed in quantitative structure-activity relationship (QSAR) studies to correlate molecular structure with biological activity.
| Identifier | MLC-T-CHM-006302 |
|---|---|
| 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 248 (https://doi.org/10.1515/pac-2012-1204) |
| See also | Topological index |
Record as JSON
{
"id": "MLC-T-CHM-006302",
"term": "Kappa shape descriptor",
"field": "Chemistry",
"definition": "A topological index used in cheminformatics to quantify molecular shape and branching. It is derived from the connectivity of atoms within a molecule, reflecting the degree of branching and cyclicity. These descriptors are employed in quantitative structure-activity relationship (QSAR) studies to correlate molecular structure with biological activity.",
"subject": "Chemistry and Human Health",
"see_also": [
"topological index"
],
"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/kappa-shape-descriptor/"
}
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