Fig. 8
From: One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Pairs of molecules better differentiated with MAP4 than with MHFP6, MAP4, TT, AP, and ECFP4 and their JD values. a Lipids from HMDB, the different position of the lipidic chains is highlighted using blue and magenta. b Phenanthrol isomers from HMDB. c Hexasaccharides from HMDB, the α-l-fucosyl and β(3-sialyl)-galactosyl groups exchanged at positions 3 and 4 of the central N-acetylglucosamine are highlighted using blue and magenta (structures as given in HMDB with open-chain form of the first carbohydrate and missing stereochemistry at one center each). d Scrambled heptapeptides. e Scrambled tetranucleotides