Research Article
Ligand-Based Virtual Screening Using Bayesian Inference Network and Reweighted Fragments
Table 4
The recall is calculated using the top 1% and top 5% of the DS1 data sets when ranked using the TAN, BIN, and BINRF.
| Activity index | 1% | 5% | TAN | BIN | BINRF | TAN | BIN | BINRF |
| 31420 | 55.84* | 74.08* | 81.8** | 85.49* | 87.61** | 84.12* | 71523 | 22.26* | 28.26* | 43.86** | 42.7* | 52.72* | 68.72** | 37110 | 12.54* | 26.05* | 41.25** | 24.11* | 48.2* | 71.05** | 31432 | 33.36* | 39.23* | 46.5** | 68.2* | 77.57* | 91.59** | 42731 | 16.24* | 21.68* | 28.13** | 32.81* | 26.63* | 42.39** | 06233 | 14.23* | 14.06* | 16.75** | 27.01* | 23.49* | 32.93** | 06245 | 10.06** | 6.31* | 10.04* | 22.9* | 14.86* | 28.8** | 07701 | 8.91* | 11.45* | 19.75** | 23.1* | 27.79* | 41.24** | 06235 | 11.87* | 10.84* | 12.45** | 24.54* | 23.78* | 31.89** | 78374 | 16.75* | 14.25* | 25.49** | 24.26* | 20.2* | 39.18** | 78331 | 8.05* | 6.03* | 8.14** | 16.83** | 11.8* | 11.20* |
| Mean | 19.10 | 22.93 | 30.38 | 35.63 | 37.69 | 49.73 |
| Share cells | 1 | 0 | 10 | 1 | 1 | 9 |
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