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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.

Table 1. Record
IdentifierMLC-T-CHM-001410
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 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 alsoReceiver-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/"
}

Record 1,510 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.