Three-dimensional quantitative structure-activity relationships

{
  "id": "MLC-T-CHM-012024",
  "term": "Three-dimensional quantitative structure-activity relationships",
  "field": "Chemistry",
  "definition": "A computational method used in drug design to correlate the three-dimensional structural features of a set of molecules with their biological activity. This approach involves aligning molecules and then using statistical techniques to identify spatial regions where variations in physicochemical properties influence activity. CoMFA (Comparative Molecular Field Analysis) is a prominent example of this methodology.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1142 (https://doi.org/10.1351/pac199769051137)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/three-dimensional-quantitative-structure-activity-relationships/"
}