MLchartDataset catalogue

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.

Table 1. Record
IdentifierMLC-T-CHM-006302
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 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 alsoTopological 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/"
}

Record 6,689 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.