Fig. 9From: Fragmentation trees reloadedSimilarity search performance plots for chemical similarity. Methods “SIRIUS 3” and “SIRIUS2-DP” compare trees via tree alignments [42]. Method “peak counting” uses direct spectral comparison. Method “MACCS” uses fingerprints computed from the structure of the compound. Left similarity search results using leave-one-out evaluation on both datasets. Right similarity search across databases: compounds from GNPS are searched in Agilent, and vice-versaBack to article page