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Fig. 4 | Journal of Cheminformatics

Fig. 4

From: One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome

Fig. 4

a, b Average rank of AP2 (orange), AP4 (magenta), AP6 (blue), AP8 (green), in their 1024-dimensions (solid) and 2048-dimensions (dashed) MinHashed implementation (MAPs), and in their 2048-dimensions folded (dotted) implementation (foldedAPs) in the fingerprint benchmark when using only small molecules datasets (17 MUV targets, 21 DUD targets, and 50 ChEMBL targets, a) and only peptide datasets (30 mutated peptide targets and 30 scrambled peptide targets, b). In both panels a and b, MHFP6 (solid) and AP (dashed) are reported in grey. Note that 14 out of 21 fingerprints are shown. c ChEMBL MAP4 shingles frequency analysis, examples of shingles with different frequencies are reported

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