4D quantitative structure-activity relationships

{
  "id": "MLC-T-CHM-000020",
  "term": "4D quantitative structure-activity relationships",
  "field": "Chemistry",
  "definition": "A computational modeling approach that extends 3D QSAR by incorporating an additional dimension, typically representing conformational flexibility or induced fit effects. This method considers an ensemble of molecular conformations or receptor-ligand interactions over time. It aims to provide a more accurate prediction of biological activity by accounting for dynamic aspects.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "1D property descriptor",
    "3D property"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 241 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/4d-quantitative-structure-activity-relationships/"
}