Research Article
Mol-BERT: An Effective Molecular Representation with BERT for Molecular Property Prediction
Table 1
The detailed description of selected benchmark datasets.
| Dataset | Category | Compound | Tasks | Task type | Split method |
| BBBP | Physiology | 2,053 | 1 | Binary | Scaffold | Tox21 | Physiology | 8,014 | 12 | Multilabel | Scaffold | SIDER | Physiology | 1,427 | 27 | Multilabel | Scaffold | ClinTox | Physiology | 1,491 | 2 | Multilabel | Scaffold |
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