Boltzmann enhanced discrimination of receiver operating characteristic
Term · Chemistry · MLC-T-CHM-001410
A computational method used in virtual screening to improve the early enrichment of active compounds from a large chemical library. The technique modifies the standard receiver-operator characteristic (ROC) curve by applying a Boltzmann weighting factor, which gives more weight to the highest-ranked active molecules. This results in a metric, the BEDROC score, that is more sensitive to initial hits in a ranked list.
| Identifier | MLC-T-CHM-001410 |
|---|---|
| Field | Chemistry |
| Subject | Chemistry and Human Health |
| References | PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 242 (https://doi.org/10.1515/pac-2012-1204) |
| See also | Receiver-operator characteristic curve |
Record as JSON
{
"id": "MLC-T-CHM-001410",
"term": "Boltzmann enhanced discrimination of receiver operating characteristic",
"field": "Chemistry",
"definition": "A computational method used in virtual screening to improve the early enrichment of active compounds from a large chemical library. The technique modifies the standard receiver-operator characteristic (ROC) curve by applying a Boltzmann weighting factor, which gives more weight to the highest-ranked active molecules. This results in a metric, the BEDROC score, that is more sensitive to initial hits in a ranked list.",
"subject": "Chemistry and Human Health",
"see_also": [
"receiver-operator characteristic curve"
],
"references": [
"PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 242 (https://doi.org/10.1515/pac-2012-1204)"
],
"url": "https://mlchart.com/terminology/chemistry/boltzmann-enhanced-discrimination-of-receiver-operating-characteristic/"
}
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