CT-TOX on Clintox (5-fold cross-val)
0.63Representation Construction Time (s)Morgan FPs
Evaluation results
| Method | Links | |
|---|---|---|
| Morgan FPsHardware=CPU2018.06 | 0.63 | |
| Graph, EmbHardware=GPU2018.06 | 3.83 | |
| WLHardware=CPU2018.06 | 4.92 | |
| GCNNHardware=GPU2018.06 | 62.61 | |
| WeaveHardware=GPU2018.06 | 95.5 | |
| GINHardware=GPU2018.06 | 135.68 | |
| Vertex, EmbHardware=GPU2018.06 | 191.93 |