Table 2 The comparison of the performance of the Morgan2 (ECFP4) and b-QAFFP fingerprints for similarity searching for 37 HOM data sets
FP | Morgan2 | b-QAFFP | |||||||
|---|---|---|---|---|---|---|---|---|---|
AD | – | No | Yes | ||||||
Cutoff | – | 5 | 6 | 7 | 8 | 5 | 6 | 7 | 8 |
AUC | 0.57 ± 0.02 | 0.61 ± 0.02 | 0.58 ± 0.03 | 0.61 ± 0.02 | 0.57 ± 0.02 | 0.65 ± 0.02 | 0.59 ± 0.02 | 0.61 ± 0.02 | 0.56 ± 0.02 |
EF5 | 4.09 ± 0.42 | 3.44 ± 0.30 | 3.52 ± 0.47 | 3.88 ± 0.54 | 2.33 ± 0.24 | 4.67 ± 0.53 | 3.56 ± 0.51 | 3.39 ± 0.53 | 1.81 ± 0.21 |