MLchartDataset catalogue

Molecular design

Term · Chemistry · MLC-T-CHM-007484

The process of creating novel molecules with desired properties or functions by manipulating their chemical structure. This often involves computational methods to predict how structural changes will affect physical, chemical, or biological characteristics. It is a core strategy in drug discovery and materials science to engineer compounds for specific applications.

Table 1. Record
IdentifierMLC-T-CHM-007484
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1146 (https://doi.org/10.1351/pac199769051137)
Record as JSON
{
  "id": "MLC-T-CHM-007484",
  "term": "Molecular design",
  "field": "Chemistry",
  "definition": "The process of creating novel molecules with desired properties or functions by manipulating their chemical structure. This often involves computational methods to predict how structural changes will affect physical, chemical, or biological characteristics. It is a core strategy in drug discovery and materials science to engineer compounds for specific applications.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 1997, 69, 1137. 'Glossary of terms used in computational drug design (IUPAC Recommendations 1997)' on page 1146 (https://doi.org/10.1351/pac199769051137)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/molecular-design/"
}

Record 7,941 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.