MLchartDataset catalogue

Chemical space

Term · Chemistry · MLC-T-CHM-001965

The theoretical or actual collection of all possible chemical compounds that could exist, often defined by certain structural or property constraints. This vast conceptual area is explored in drug discovery to identify novel molecules with desired biological activities. Computational methods are frequently employed to navigate and analyze chemical space.

Table 1. Record
IdentifierMLC-T-CHM-001965
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1730 (https://doi.org/10.1351/PAC-REC-12-11-23)
See alsoMolecular target
Record as JSON
{
  "id": "MLC-T-CHM-001965",
  "term": "Chemical space",
  "field": "Chemistry",
  "definition": "The theoretical or actual collection of all possible chemical compounds that could exist, often defined by certain structural or property constraints. This vast conceptual area is explored in drug discovery to identify novel molecules with desired biological activities. Computational methods are frequently employed to navigate and analyze chemical space.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "molecular target"
  ],
  "references": [
    "PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1730 (https://doi.org/10.1351/PAC-REC-12-11-23)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/chemical-space/"
}

Record 2,106 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.