SMILES

{
  "id": "MLC-T-ENV-025856",
  "term": "SMILES",
  "field": "Environment",
  "definition": "1. SMILES is a simplified chemical notation that allows a user to represent a primarily 2D chemical structure in linear textual form for easy entry into a computer application. SMILES notation is commonly employed in QSAR (Quantitative Structure-Activity Relationship) modeling applications and in software for prediction of chemical properties and biological activities. See STRUCTURE_SMILES (http://www.epa.gov/ncct/dsstox/StandardChemFieldDefTable.html#STRUCTURE_SMILES) for more information on how CAS are incorporated into DSSTox Data Files. More on SMILES (http://www.epa.gov/ncct/dsstox/MoreonSMILES.html).\n\n2. SMILES is a simplified chemical notation that allows a user to represent a primarily 2D chemical structure in linear textual form for easy entry into a computer application. SMILES notation is commonly employed in QSAR (Quantitative Structure-Activity Relationship) modeling applications and in software for prediction of chemical properties and biological activities.",
  "subject": "Chemicals, toxics and pesticides",
  "references": [
    "DSSTox Public Database Network Glossary of Terms",
    "DSSTox Glossary"
  ],
  "url": "https://mlchart.com/terminology/environment/smiles/"
}