Substructure searching

{
  "id": "MLC-T-CHM-011534",
  "term": "Substructure searching",
  "field": "Chemistry",
  "definition": "A computational method used to identify molecules that contain a specific chemical fragment or pattern within their larger structure. This technique is applied in chemical databases to find compounds sharing common structural motifs. It is a core operation in cheminformatics for drug discovery and materials science.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "graph-based method",
    "virtual screening"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 257 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/substructure-searching/"
}