Table 1 Overlap of actives (mean and standard deviation) in the top-1% search outputs from SUM-OKA and TAN searches: percentage of active molecules retrieved by both SUM-OKA and TAN ("Overlap") or only by one of these two search methods.
From: Evaluation of a Bayesian inference network for ligand-based virtual screening
| Â | Percentage of actives | |||||
|---|---|---|---|---|---|---|
Dataset | Overlap | SUM-OKA | TAN | |||
MDDR | 14.81 | 12.67 | 6.58 | 4.28 | 4.40 | 2.23 |
MDDR-HOM | 69.21 | 18.48 | 13.39 | 8.84 | 3.58 | 3.75 |
MDDR-HET | 7.05 | 6.36 | 2.38 | 1.86 | 4.71 | 3.75 |
WOMBAT | 22.37 | 16.01 | 8.43 | 5.38 | 3.84 | 2.01 |