Molecular graph theory

{
  "id": "MLC-T-CHM-007496",
  "term": "Molecular graph theory",
  "field": "Chemistry",
  "definition": "A branch of chemical graph theory that applies mathematical graph theory concepts to model and analyze molecular structures. It uses graphs to represent molecules, where vertices correspond to atoms and edges to chemical bonds. This theory provides tools for predicting molecular properties, reactivity, and for systematic enumeration of isomers.",
  "subject": "Organic and Biomolecular Chemistry",
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1951 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/molecular-graph-theory/"
}