MLchartDataset catalogue

2D quantitative structure-activity relationships

Term · Chemistry · MLC-T-CHM-000012

A computational modeling approach that correlates the biological activity of compounds with their two-dimensional structural features. This method uses molecular descriptors derived from the connectivity and topology of molecules, without considering their three-dimensional shape. The models predict activity based on these structural parameters, often employing statistical techniques like regression analysis.

Table 1. Record
IdentifierMLC-T-CHM-000012
FieldChemistry
SubjectChemistry and Human Health
Synonymstwo-dimensional quantitative structure-activity relationships
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)
See also1D property descriptor; 2D property
Record as JSON
{
  "id": "MLC-T-CHM-000012",
  "term": "2D quantitative structure-activity relationships",
  "field": "Chemistry",
  "definition": "A computational modeling approach that correlates the biological activity of compounds with their two-dimensional structural features. This method uses molecular descriptors derived from the connectivity and topology of molecules, without considering their three-dimensional shape. The models predict activity based on these structural parameters, often employing statistical techniques like regression analysis.",
  "synonyms": [
    "two-dimensional quantitative structure-activity relationships"
  ],
  "subject": "Chemistry and Human Health",
  "see_also": [
    "1D property descriptor",
    "2D property"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 240 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/2d-quantitative-structure-activity-relationships/"
}

Record 12 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.