Table 8 Activity predictions and statistics for considered datasets
From: Mol-CycleGAN: a generative model for molecular optimization
ZINC-250K predicted mean activity | 0.223 |
\(X_{\text {test}}\) predicted mean activity | 0.179 |
\(G(X_{\text {test}})\) predicted mean activity | 0.362 |
Mean gain in predicted activity | 0.182 |