Table 6 Among all the starting molecules in Test-Original, the percentage of starting molecules for which each model generates either less or more desirable molecules when compared with the other two models
From: Molecular optimization by capturing chemist’s intuition using deep neural networks
| Less than the others (%) | More than the others (%) | |
|---|---|---|
| HierG2G | 46.50 | 10.02 |
| Seq2Seq | 23.16 | 21.81 |
| Transformer | 8.89 | 46.20 |