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.
| Identifier | MLC-T-CHM-000012 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| Synonyms | two-dimensional quantitative structure-activity relationships |
| 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) |
| See also | 1D 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/"
}
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