Table 2 Success rate over molecules on three test datasets
From: Substructure-based neural machine translation for retrosynthetic prediction
Datasets | Â | Â | Â |
|---|---|---|---|
| Â | Single | Double | All |
Size | Â | Â | Â |
| Â | 88,151 | 229,141 | 317,292 |
| Â | 9794 | 25,460 | 35,254 |
| Â | 9794 | 50,911 | 55,958 |
| Â | 74 | 73 | 74 |
Success rate | Â | Â | Â |
Bi-LSTM | Â | Â | Â |
| Â | 29.0% | 27.9% | 25.3% |
| Â | 28.7% | 10.5% | 12.9% |
| Â | 0.84 | 0.66 | 0.68 |
LSTM | Â | Â | Â |
| Â | 22.9% | 21.6% | 19.4% |
| Â | 29.7% | 10.2% | 12.5% |
| Â | 0.82 | 0.62 | 0.64 |