Fig. 3
From: Mass-Suite: a novel open-source python package for high-resolution mass spectrometry data analysis
Estimates of fold change (estimated vs. actual concentration) of source (roadway runoff) concentration from a previous study [4] and MSS model predictions. MSS predictions were built from an ensemble random forest model that was trained with roadway runoff source sample dilution. One cluster of compounds (Cluster label = 0, N = 587) was prioritized from DBSCAN clustering analysis and used to derive estimates. The dashed line (fold change = 1) indicates predicted concentration equal to actual concentration