Similarity searching

{
  "id": "MLC-T-CHM-010871",
  "term": "Similarity searching",
  "field": "Chemistry",
  "definition": "A computational technique used in cheminformatics to find molecules in a database that are structurally similar to a given query molecule. This process typically involves representing molecules as molecular fingerprints or descriptors and then calculating a similarity metric, such as the Tanimoto coefficient, between the query and database entries. The goal is to identify compounds with potentially similar biological activities or properties.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "Tanimoto similarity",
    "Tversky similarity",
    "molecular similarity",
    "virtual screening"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 256 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/similarity-searching/"
}