Computational Chemistry

Preferred Label : Computational Chemistry;

NCIt definition : Computational chemistry is the branch of theoretical chemistry whose major goals are to create efficient computer programs that calculate the properties of molecules (such as total energy, dipole moment, vibrational frequencies) and to apply these programs to concrete chemical objects. (from Information Headquarters);

Details

Origin ID

C18470;

UMLS CUI

C0872134;

Automatic exact mappings (from CISMeF team)
- Computational Chemistry [MeSH concept]
Currated CISMeF NLP mapping
- Cheminformatics [EDAM topic]
- Cheminformatics [MeSH Descriptor]
- Cheminformatics [MeSH concept]
- Chemoinformatics [EFMI term]
- Computational Chemistry [MeSH Descriptor]
- Computational chemistry [EDAM topic]
- computational chemistry [IUPAC Term]
Semantic type(s)
- Biomedical Occupation or Discipline [UMLS semantic type]
UMLS correspondences (same concept)
- Computational Chemistry [MeSH Descriptor]
- computational chemistry [IUPAC Term]

Keyword's position in hierarchy(ies) :

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