Ismersök
Ismersök, a term used in chemistry and cheminformatics, refers to the systematic search for isomeric relationships within large chemical data collections. An isomer is a compound that shares the same molecular formula as another but differs in connectivity or spatial arrangement. Ismersök aims to identify these relationships to improve molecule identity, data curation, and downstream analyses such as property prediction or virtual screening.
The term is a compound of the Swedish words for isomer and search (sök). It appears in
Methods used in ismersök include graph-based algorithms for subgraph isomorphism, canonical representations via SMILES or InChI,
Applications of ismersök span database curation, drug discovery, and regulatory or quality-control contexts where precise identification