Extended Data Fig. 4: Accuracies on (A) GNPSLIBvCOCONUT and (B) GNPSLIBvNPAtlas for exact search methods.
From: Identifying variants of molecules through database search of mass spectra
Molecule-spectrum matches for each method are grouped by spectrum and ranked by descending score. Tied ranks are assigned the average ranks of all molecule-spectrum matches contributing to the tie. The top-k accuracy indicates for what percentage of test spectra the correct compound was ranked at most k.
