Molecular Property Prediction on Photovoltaic efficiency (subset of 20,000)
1.43Mean Prediction ErrorNeural FPs + neural net
Evaluation Results
| Method | Links | |
|---|---|---|
| Neural FPs + neural netFingerprint Type=Neural graph fingerprints, Predictor Architecture=Neural network2015.09 | 1.43 | |
| Circular FPs + neural netFingerprint Type=Circular, Predictor Architecture=Neural network2015.09 | 2 | |
| Neural FPs + linear layerFingerprint Type=Neural graph fingerprints, Predictor Architecture=Linear layer2015.09 | 2.58 | |
| Circular FPs + linear layerFingerprint Type=Circular, Predictor Architecture=Linear layer2015.09 | 2.63 | |
| Predict meanFingerprint Type=None, Predictor Architecture=Mean baseline2015.09 | 6.4 |