SMIRKS

{
  "id": "MLC-T-CHM-010956",
  "term": "SMIRKS",
  "field": "Chemistry",
  "definition": "A line notation for representing generic chemical reactions, which allows for the specification of atom and bond changes during a transformation. It is an extension of the SMILES (Simplified Molecular Input Line Entry System) notation, incorporating features to describe reaction mapping and atom typing. This system is widely used in cheminformatics for reaction databases and reaction prediction software.",
  "subject": "Chemistry and Human Health",
  "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/smirks/"
}