HIGHLIGHTS
- who: Niek F. de Jonge from the (UNIVERSITY) have published the article: MS2Query: reliable and scalable MS2 mass spectra-based analogue search, in the Journal: (JOURNAL) of 10/08/2022
- what: The authors demonstrate that MS2Query is able to find reliable analogues for 35% of the mass spectra during benchmarking with an average Tanimoto score of 0.63 (chemical similarity). Even though the authors demonstrate that MS2Query is able to rapidly provide reliable analogues for unknown substances, there is still room for improvement.
SUMMARY
Only few metabolites have an annotated spectrum . . .
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