Table 3 Evaluation of models modifying the presence of halogen moieties and the number of aromatic rings
From: Mol-CycleGAN: a generative model for molecular optimization
| Halogen moieties | Aromatic rings | |||
|---|---|---|---|---|
| \(X \rightarrow G(X)\) | \(Y \rightarrow F(Y)\) | \(X \rightarrow G(X)\) | \(Y \rightarrow F(Y)\) | |
| Success rate | 0.6429 | 0.7161 | 0.5342 | 0.4216 |
| Non-identity | 0.9345 | 0.9574 | 0.9082 | 0.8899 |
| Uniqueness | 0.9952 | 0.9953 | 0.9957 | 0.9954 |