MLchartDataset catalogue

Topological index

Term · Chemistry · MLC-T-CHM-012115

A numerical value derived from the molecular graph of a chemical compound, representing its connectivity and branching patterns. This index quantifies structural features that are invariant under topological transformations, providing a mathematical descriptor for molecular structure. Examples include the Wiener index and the Randic index, used in quantitative structure-activity relationships (QSAR).

Table 1. Record
IdentifierMLC-T-CHM-012115
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 258 (https://doi.org/10.1515/pac-2012-1204)
Record as JSON
{
  "id": "MLC-T-CHM-012115",
  "term": "Topological index",
  "field": "Chemistry",
  "definition": "A numerical value derived from the molecular graph of a chemical compound, representing its connectivity and branching patterns. This index quantifies structural features that are invariant under topological transformations, providing a mathematical descriptor for molecular structure. Examples include the Wiener index and the Randic index, used in quantitative structure-activity relationships (QSAR).",
  "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 258 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/topological-index/"
}

Record 12,919 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.