Linked-data framework for connecting species in chemical kinetic reaction mechanisms with quantum calculations. A mechanism can be constructed from thermodynamic, reaction rate, and transport data that has been obtained either experimentally, computationally, or by a combination of both. In order to implement this approach, two existing ontologies, namely OntoKin, for representing chemical kinetic reaction mechanisms, and OntoCompChem, for representing quantum chemistry calculations, are extended. (from https://nfdi4cat.org/services/ontologie-sammlung/)
Identifier Standards
- Pattern for Local Unique Identifiers
- No terms in worldavatar.compchem
- Example Local Unique Identifier
- No Terms in worldavatar.compchem
Contacts
- Contact
- Missing Contact
- Contributors
-
submitter
Charles Tapley Hoyt
0000-0003-4423-4370
cthoyt
Ontology
A summary of the relations in the Bioregistry schema can be found here.
- In Collection (2)
- NDFI4Cat Collection NFDI4Chem Collection
Mappings to External Registries
Mappings from records in Bioregistry to external registries comprises the metaregistry. This resource has 1 mapping to an external registry.
| Registry Name | Registry Metaprefix | External Prefix | Curate |
|---|---|---|---|
TIB-TS
|
tib |
ontocompchem
|