Fig. 2

Virtual Screening benchmark (a) AUC and (b) EF1 of MAP6 (purple), MAP4 (magenta), MAP2 (blue), AP (grey), ECFP6 (orange) and ECFP4 (yellow) and across all small molecules and peptide targets (80 ChEMBL targets, 21 DUD targets, 17 MUV targets, 30 mutated peptide targets, and 30 scrambled peptide targets). Chiral fingerprints are displayed as bold lines, non-chiral fingerprints are displayed as dashed lines. The value displayed for each dataset is the mean metric of 5 runs. c Mean ranks of fingerprints across all virtual screening datasets for each metric. Small molecule sets (ChEMBL, DUD, MUV) and peptide sets are presented separately to highlight the differences in relative performance