MLchartDataset catalogue

Structure-property correlations

Term · Chemistry · MLC-T-CHM-011502

Relationships that describe how the chemical structure of a substance influences its physical, chemical, or biological properties. These correlations are used to predict properties of new compounds or to design materials with specific characteristics without extensive experimental testing. Quantitative structure-property relationships (QSPR) employ mathematical models to establish these links.

Table 1. Record
IdentifierMLC-T-CHM-011502
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1150 (https://doi.org/10.1351/pac199769051137)
See alsoPattern recognition
Record as JSON
{
  "id": "MLC-T-CHM-011502",
  "term": "Structure-property correlations",
  "field": "Chemistry",
  "definition": "Relationships that describe how the chemical structure of a substance influences its physical, chemical, or biological properties. These correlations are used to predict properties of new compounds or to design materials with specific characteristics without extensive experimental testing. Quantitative structure-property relationships (QSPR) employ mathematical models to establish these links.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "pattern recognition"
  ],
  "references": [
    "PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1150 (https://doi.org/10.1351/pac199769051137)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/structure-property-correlations/"
}

Record 12,252 of 13,678 in Chemistry terminology (MLC-0109). Request the full dataset.