We have updated our preprint with a benchmark of 17 methods for structural annotation of MS/MS spectra: www.biorxiv.org/content/10.6...
biorxiv.org
Confronting spurious evaluations of computational methods in small molecule mass spectrometry
Mass spectrometry-based metabolomics detects thousands of small molecule-associated signals in biological samples, but the vast majority cannot be structurally identified. Mounting interest in this me...