| molecular-property-prediction-on-bace-1 | MolXPT | #1 | ROC-AUC: 88.4 |
| molecular-property-prediction-on-bbbp-1 | MolXPT | #10 | ROC-AUC: 80.5 ± 0.5 |
| molecular-property-prediction-on-clintox-1 | MolXPT | #3 | ROC-AUC: 95.3±0.2 |
| molecular-property-prediction-on-hiv-dataset | MolXPT | #6 | AUC: 0.781 |
| molecular-property-prediction-on-sider-1 | MolXPT | #3 | ROC-AUC: 71.7 |
| molecular-property-prediction-on-tox21-1 | MolXPT | #8 | ROC-AUC: 77.1 |
| molecule-captioning-on-chebi-20 | MolXPT | #13 | BLEU-2: 59.4BLEU-4: 50.5METEOR: 62.6ROUGE-1: 66ROUGE-2: 51.1… |
| text-based-de-novo-molecule-generation-on-text2mol | MolXPT | #19 | Exact Match: 21.5Frechet ChemNet Distance (FCD): 0.45MACCS FTS: 85.9… |