Molecular similarity

{
  "id": "MLC-T-CHM-007520",
  "term": "Molecular similarity",
  "field": "Chemistry",
  "definition": "A quantitative measure of how alike two molecules are based on their structural, physicochemical, or biological properties. This concept is central to cheminformatics for identifying compounds with similar activities or properties. Similarity is often calculated using molecular descriptors or fingerprints, with common metrics including the Tanimoto coefficient.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "3D property",
    "3D structure",
    "Tanimoto similarity",
    "Tversky similarity",
    "fragment keys",
    "molecular fingerprints"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 250 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/molecular-similarity/"
}