Structural alert

{
  "id": "MLC-T-CHM-011489",
  "term": "Structural alert",
  "field": "Chemistry",
  "definition": "A specific chemical substructure or functional group within a molecule that is known or predicted to be associated with a particular biological activity, often an undesirable one such as toxicity or mutagenicity. These alerts are used in drug discovery and toxicology to flag compounds for further investigation or to guide chemical modifications. They are derived from empirical data and mechanistic understanding.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "hit",
    "lead"
  ],
  "references": [
    "PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1752 (https://doi.org/10.1351/PAC-REC-12-11-23)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/structural-alert/"
}