MLchartDataset catalogue

Molecular diversity

Term · Chemistry · MLC-T-CHM-007485

The range of distinct chemical structures present within a collection of molecules, such as a compound library. This concept is measured by the number of unique scaffolds, functional groups, and stereochemical arrangements. High molecular diversity is sought in drug discovery to increase the probability of finding compounds with desired biological activities.

Table 1. Record
IdentifierMLC-T-CHM-007485
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 250 (https://doi.org/10.1515/pac-2012-1204)
Record as JSON
{
  "id": "MLC-T-CHM-007485",
  "term": "Molecular diversity",
  "field": "Chemistry",
  "definition": "The range of distinct chemical structures present within a collection of molecules, such as a compound library. This concept is measured by the number of unique scaffolds, functional groups, and stereochemical arrangements. High molecular diversity is sought in drug discovery to increase the probability of finding compounds with desired biological activities.",
  "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 250 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/molecular-diversity/"
}

Record 7,942 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.