Molecular Property Prediction on Solubility
0.52Mean Predictive Error (log Mol/L)Neural FPs + neural net
Evaluation Results
| Method | Links | |
|---|---|---|
| Neural FPs + neural netFingerprint Type=Neural graph fingerprints, Predictor Architecture=Neural network2015.09 | 0.52 | |
| Neural FPs + linear layerFingerprint Type=Neural graph fingerprints, Predictor Architecture=Linear layer2015.09 | 0.77 | |
| Circular FPs + neural netFingerprint Type=Circular, Predictor Architecture=Neural network2015.09 | 1.4 | |
| Circular FPs + linear layerFingerprint Type=Circular, Predictor Architecture=Linear layer2015.09 | 1.71 | |
| Predict meanFingerprint Type=None, Predictor Architecture=Mean baseline2015.09 | 4.29 |