Global model

Term · Chemistry · MLC-T-CHM-004909

A computational model built to make predictions across all of chemistry space, such as a QSAR model trained on structurally varied compounds, usually with a measure of whether a query molecule lies inside or outside the model's applicability domain. It contrasts with a local model, which is built for a narrow chemical series and is expected to predict well only for close analogues of its training compounds.

Table 1. Record
Identifier	MLC-T-CHM-004909
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 247 (https://doi.org/10.1515/pac-2012-1204)
See also	Applicability domain

Record as JSON

{
  "id": "MLC-T-CHM-004909",
  "term": "Global model",
  "field": "Chemistry",
  "definition": "A computational model built to make predictions across all of chemistry space, such as a QSAR model trained on structurally varied compounds, usually with a measure of whether a query molecule lies inside or outside the model's applicability domain. It contrasts with a local model, which is built for a narrow chemical series and is expected to predict well only for close analogues of its training compounds.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "applicability domain"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 247 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/global-model/"
}

Record 5,197 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.