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Table 2 Overall performance (%) of fingerprint decoders, computed as the average Tanimoto exactness score across 15 fingerprintsOverall performance (%) of fingerprint decoders, computed as the average Tanimoto exactness score across 15 fingerprints

From: Reconstruction of lossless molecular representations from fingerprints

 

MACCS

Avalon

RDK4

RDK4L

HashAP

TT

HashTT

ECFP0

ECFP2

ECFP4

FCFP2

FCFP4

AEs

SMILES

39.6

67.3

65.2

51.6

85.1

86.6

84.6

1.9

80.8

93.6

20.3

71.7

81.3

SELFIES

31.2

46.6

56.7

44.1

72.6

79.5

76.4

1.6

73.6

86.2

16.3

64.7

75.0