Molecular graph

{
  "id": "MLC-T-CHM-007495",
  "term": "Molecular graph",
  "field": "Chemistry",
  "definition": "A representation of a molecule as a set of vertices and edges, where vertices correspond to atoms and edges correspond to chemical bonds. This graph provides a topological description of molecular structure, abstracting away from three-dimensional geometry. It is used in cheminformatics for indexing and comparing chemical structures.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "network"
  ],
  "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/"
}