Molecular Property Prediction On Clintox 1
Metrics
ROC-AUC
Results
Performance results of various models on this benchmark
Comparison Table
| Model Name | ROC-AUC |
|---|---|
| molecular-structure-property-co-trained | 91.0 |
| galactica-a-large-language-model-for-science-1 | 58.9 |
| galactica-a-large-language-model-for-science-1 | 51.8 |
| n-gram-graph-a-novel-molecule-representation | 77.5 |
| galactica-a-large-language-model-for-science-1 | 82.6 |
| integrating-convolutional-layers-and-biformer | 99.2 |
| a-bayesian-flow-network-framework-for | 99.18 |
| chemberta-2-towards-chemical-foundation | 56.3 |
| grover-self-supervised-message-passing | 81.2 |
| uni-mol-a-universal-3d-molecular | 91.9 |
| galactica-a-large-language-model-for-science-1 | 78.4 |
| pre-training-graph-neural-networks-on | 78.58±2.01 |
| are-learned-molecular-representations-ready | 90.6 |
| molxpt-wrapping-molecules-with-text-for | 95.3±0.2 |
| galactica-a-large-language-model-for-science-1 | 82.2 |
| chemrl-gem-geometry-enhanced-molecular | 90.1 |
| n-gram-graph-a-novel-molecule-representation | 87.5 |
| grover-self-supervised-message-passing | 76.2 |
| synergistic-fusion-of-graph-and-transformer | 94.7±0.2 |
| pre-training-graph-neural-networks | 72.6 |