Table 8 Mean present-ignored ratios for two features and test MSE calculated for Rat models trained on representation F-C which differ only by weight initialization
From: Extended study on atomic featurization in graph neural networks for molecular property prediction
Run | Is aromatic | Is in a ring | Test MSE |
|---|---|---|---|
Run-1 | 0.13 | 0.02 | 0.172 |
Run-2 | 0.05 | 0.08 | 0.192 |
Run-3 | 0.37 | 0.03 | 0.188 |