Table 2 Accuracy of YSI predictions from Reference model [36], Linear QSPR model, fastprop, and Chemprop
From: Generalizable, fast, and accurate DeepQSPR with fastprop
Model | MAE | RMSE | WMAPE |
|---|---|---|---|
Reference | 22.3 | 50 | 14 |
fastprop | 25.0 ± 5.2 | 52 ± 20 | 13.6 ±1.3 |
Chemprop | 28.9 ± 6.5 | 63 ± 14 | 16.4 ± 3.0 |
Linear | 82 ± 39 | 180 ± 120 | 47.0 ± 2.3 |