BioinformaticsbioRxivPreprint
MS2Query: Reliable and Scalable MS2 Mass Spectral-based Analogue Search
Niek De Jonge, Joris J. R. Louwen, Elena Chekmeneva…·Justin J. J. van der Hooft
MS2Query improves metabolite annotation by combining mass spectral embeddings and precursor masses to rank analogues and exact matches more reliably and scalably.