MLchartDataset catalogue

Virtual reaction

Term · Chemistry · MLC-T-CHM-013693

A theoretical chemical transformation that is not necessarily experimentally feasible but is used in computational drug design to explore potential synthetic pathways or molecular modifications. It allows for the generation of novel chemical structures by applying predefined reaction rules to existing molecules. This concept is often employed in retrosynthesis analysis.

Table 1. Record
IdentifierMLC-T-CHM-013693
FieldChemistry
SubjectChemistry and Human Health
ReferencesPAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 259 (https://doi.org/10.1515/pac-2012-1204)
See alsoMarkush structure; SMIRKS
Record as JSON
{
  "id": "MLC-T-CHM-013693",
  "term": "Virtual reaction",
  "field": "Chemistry",
  "definition": "A theoretical chemical transformation that is not necessarily experimentally feasible but is used in computational drug design to explore potential synthetic pathways or molecular modifications. It allows for the generation of novel chemical structures by applying predefined reaction rules to existing molecules. This concept is often employed in retrosynthesis analysis.",
  "subject": "Chemistry and Human Health",
  "see_also": [
    "Markush structure",
    "SMIRKS"
  ],
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 259 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/virtual-reaction/"
}

Record 13,425 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.