Research Article
Ligand-Based Virtual Screening Using Bayesian Inference Network and Reweighted Fragments
Table 6
The recall is calculated using the top 1% and top 5% of the DS3 data sets when ranked using the TAN, BIN, and BINRF.
| Activity index | 1% | 5% | TAN | BIN | BINRF | TAN | BIN | BINRF |
| 09249 | 25.09** | 15.33* | 15.51* | 40.21** | 25.72* | 29.08* | 12455 | 7.7* | 9.37* | 11.59** | 19.08** | 14.65* | 16.77* | 12464 | 9.02* | 8.45* | 11.67** | 14.56* | 16.55* | 27.1** | 31281 | 27.53* | 18.29* | 44.48** | 44* | 28.29* | 59.9** | 43210 | 11.1** | 7.34* | 9.41* | 26.37** | 14.41* | 21.27* | 71522 | 2.35* | 4.08* | 11.39** | 6.28* | 8.44* | 23.62** | 75721 | 24.02* | 20.41* | 28.24** | 28.97* | 30.02* | 56.39** | 78331 | 6.27* | 7.51* | 10.11** | 15.79* | 12.03* | 18.82** | 78348 | 4.69* | 9.79** | 8.99* | 13.16* | 20.76* | 24.15** | 78351 | 4.31* | 13.68* | 16.64** | 10.55* | 12.94* | 20.16** |
| Mean | 12.21 | 11.42 | 16.80 | 21.90 | 18.38 | 29.72 |
| Share cells | 2 | 1 | 7 | 3 | 0 | 7 |
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