Table 4 Reaxys performance with and without confidence prediction
From: Reaction rebalancing: a novel approach to curating reaction databases
| Â | Rule-based | MCS-based | MCS-based | SynRBL | SynRBL |
|---|---|---|---|---|---|
| Â | Â | \(\text {conf.} \ge 0\)% | \(\text {conf.} \ge 50\)% | \(\text {conf.}\ge 0\)% | \(\text {conf.} \ge 50\)% |
Input Reactions | 83366 | 88595 | 88595 | 171913 | 171913 |
Solved Reactions | 78692 | 51828 | 35491 | 130520 | 114183 |
Correct Reactions | 77088 | 27439 | 22007 | 104527 | 99095 |
Success Rate | 94.39% | 58.50% | 40.06% | 75.92% | 66.42% |
Accuracy | 97.96% | 52.94% | 62.01% | 80.09% | 86.79% |