From: Hard-threshold neural network-based prediction of organic synthetic outcomes
Subnetwork structure | Training Accuracy | Validation Accuracy | Test Accuracy |
---|---|---|---|
200/100/50 | 80.1% | 70.0% | 71.2% |
250/100/50 | 80.0% | 72.0% | 71.3% |
250/125/50 | 78.8% | 71.7% | 70.9% |
300/100/50 | 78.7% | 69.8% | 69.8% |
100/100/50/50/50 | 76.0% | 70.4% | 69.9% |
100/100/50/50/50 | 74.7% | 70.1% | 69.5% |