From: Mol-CycleGAN: a generative model for molecular optimization
Index | Activity original | Activity generated | \(\Delta _{\text {Activity}}\) | Tanimoto |
---|---|---|---|---|
1 | 0.32 | 0.71 | 0.39 | 0.703 |
2 | 0.23 | 0.73 | 0.50 | 0.496 |
3 | 0.16 | 0.49 | 0.33 | 0.702 |
4 | 0.03 | 0.52 | 0.49 | 0.395 |
5 | 0.05 | 0.47 | 0.42 | 0.458 |