Response scrambling
Term · Chemistry · MLC-T-CHM-010268
A validation procedure for QSAR and classification models in which the target property values are randomly shuffled among the compounds and a new model is built from the scrambled data, repeated many times. The statistics of the scrambled models are compared with those of the real model, which should fit far better, otherwise the original correlation may be a chance result. It is also called y-randomization.
| Identifier | MLC-T-CHM-010268 |
|---|---|
| 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 255 (https://doi.org/10.1515/pac-2012-1204) |
Record as JSON
{
"id": "MLC-T-CHM-010268",
"term": "Response scrambling",
"field": "Chemistry",
"definition": "A validation procedure for QSAR and classification models in which the target property values are randomly shuffled among the compounds and a new model is built from the scrambled data, repeated many times. The statistics of the scrambled models are compared with those of the real model, which should fit far better, otherwise the original correlation may be a chance result. It is also called y-randomization.",
"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 255 (https://doi.org/10.1515/pac-2012-1204)"
],
"url": "https://mlchart.com/terminology/chemistry/response-scrambling/"
}
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