From: End-to-end learning for compound activity prediction based on binding pocket information
MUV ID | Pocket structure (Proposed) | Sequence (Tsubaki et al.) | Docking (AutoDock Vina) |
---|---|---|---|
600 | 0.138 | 0.029 | 0.031 |
692 | 0.031 | 0.026 | 0.014 |
859 | 0.041 | 0.019 | 0.023 |
852 | 0.241 | 0.199 | 0.011 |
548 | 0.329 | 0.263 | 0.020 |
832 | 0.122 | 0.131 | 0.041 |
689 | 0.011 | 0.021 | 0.051 |
846 | 0.112 | 0.112 | 0.009 |
466 | 0.010 | 0.006 | 0.117 |
Average | 0.115 | 0.090 | 0.035 |