Table 2 Selecting DsIncr size for incremental model building (repeated 20 times, mean values reported)
From: Efficient iterative virtual screening with Apache Spark and conformal prediction
DsIncr (K) | Iterations | Accu. | Eff. | Docked mols (millions) | Total time (relative) |
|---|---|---|---|---|---|
50 | 3.9 | 96.5 | 0.91 | 0.77 | 1 |
100 | 3.35 | 96.84 | 0.91 | 0.81 | 0.96 |
200 | 3.15 | 97.17 | 0.91 | 0.79 | 1.12 |