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Multiparameter optimisation

Term · Chemistry · MLC-T-CHM-007649

The simultaneous balancing of several compound properties in drug discovery, such as potency, selectivity, solubility, permeability, metabolic stability and safety, so that a candidate meets all targets together instead of excelling in one. Scores such as the CNS MPO combine six properties (clogP, clogD, molecular weight, polar surface area, hydrogen-bond donors and pKa) into a desirability value from 0 to 6.

Table 1. Record
IdentifierMLC-T-CHM-007649
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1742 (https://doi.org/10.1351/PAC-REC-12-11-23)
Record as JSON
{
  "id": "MLC-T-CHM-007649",
  "term": "Multiparameter optimisation",
  "field": "Chemistry",
  "definition": "The simultaneous balancing of several compound properties in drug discovery, such as potency, selectivity, solubility, permeability, metabolic stability and safety, so that a candidate meets all targets together instead of excelling in one. Scores such as the CNS MPO combine six properties (clogP, clogD, molecular weight, polar surface area, hydrogen-bond donors and pKa) into a desirability value from 0 to 6.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 2013, 85, 1725. 'Glossary of terms used in medicinal chemistry. Part II (IUPAC Recommendations 2013)' on page 1742 (https://doi.org/10.1351/PAC-REC-12-11-23)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/multiparameter-optimisation/"
}

Record 8,114 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.