Quantitative structure-property relationship

Term · Chemistry · MLC-T-CHM-009754

A mathematical model that correlates the structural features of a set of chemical compounds with their observed physicochemical properties or biological activities. This approach uses descriptors derived from molecular structure to predict properties without direct experimental measurement. The models are often developed using statistical methods such as multiple linear regression or machine learning algorithms.

Table 1. Record
Identifier	MLC-T-CHM-009754
Field	Chemistry
Subject	Organic and Biomolecular Chemistry
References	PAC, 2022, 94, 353. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021)' on page 491 (https://doi.org/10.1515/pac-2018-1010)

Record as JSON

{
  "id": "MLC-T-CHM-009754",
  "term": "Quantitative structure-property relationship",
  "field": "Chemistry",
  "definition": "A mathematical model that correlates the structural features of a set of chemical compounds with their observed physicochemical properties or biological activities. This approach uses descriptors derived from molecular structure to predict properties without direct experimental measurement. The models are often developed using statistical methods such as multiple linear regression or machine learning algorithms.",
  "subject": "Organic and Biomolecular Chemistry",
  "references": [
    "PAC, 2022, 94, 353. 'Glossary of terms used in physical organic chemistry (IUPAC Recommendations 2021)' on page 491 (https://doi.org/10.1515/pac-2018-1010)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/quantitative-structure-property-relationship/"
}

Record 10,364 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.