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Table 3 Average number of fragments and bit-collisions when folding circular fingerprints on our datasets

From: Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability

Type

Fragments

1024

2048

4096

8192

Rate

Bit-load

Rate

Bit-load

Rate

Bit-load

Rate

Bit-load

ecfp6

80,342.54

1

78.46

0.99

39.24

0.98

19.64

0.95

9.86

ecfp4

23,874.58

0.99

23.32

0.98

11.68

0.94

5.89

0.8

3.11

ecfp2

2169.37

0.7

2.39

      

ecfp0

57.01

        
  1. Rate is the ratio of bit positions that are mapped by more than one fragment (e.g., 99% of bit-positions correspond to multiple fragments for ECFP4 and bit-vector size 1024). Bit-load is the mean number of fragments that are mapped to a single bit
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Journal of Cheminformatics

ISSN: 1758-2946

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