MLchartDataset catalogue

Calculated molar refractivity

Term · Chemistry · MLC-T-CHM-001572

A theoretical measure of the total polarizability of a molecule, derived from its chemical structure and atomic refractivities. This value is often used in quantitative structure-activity relationships (QSAR) to predict a compound's physical properties or biological activity. It is expressed in units of volume per mole, such as cm³/mol.

Table 1. Record
IdentifierMLC-T-CHM-001572
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 also2D quantitative structure-activity relationships
Record as JSON
{
  "id": "MLC-T-CHM-001572",
  "term": "Calculated molar refractivity",
  "field": "Chemistry",
  "definition": "A theoretical measure of the total polarizability of a molecule, derived from its chemical structure and atomic refractivities. This value is often used in quantitative structure-activity relationships (QSAR) to predict a compound's physical properties or biological activity. It is expressed in units of volume per mole, such as cm³/mol.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "2D quantitative structure-activity relationships"
  ],
  "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/calculated-molar-refractivity/"
}

Record 1,679 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.