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.
| Identifier | MLC-T-CHM-013693 |
|---|---|
| Field | Chemistry |
| 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 259 (https://doi.org/10.1515/pac-2012-1204) |
| See also | Markush 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/"
}
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