Classification on MoleculeNet Tox21 (test)
83.9ROC AUCRF
Evaluation Results
| Method | Links | |
|---|---|---|
| RFCategory=ensemble method2019.09 | 83.9 | |
| ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.09 | 83.4 | |
| GCNCategory=graph network, Note=Non-standard splitting2019.09 | 82.9 | |
| ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.09 | 82.7 | |
| ELCNCategory=ensemble method2019.09 | 82.2 | |
| ChemBERTa-2Pre-training Task=MTR, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.09 | 81.7 | |
| ALCNCategory=single model extension of LCN2019.09 | 81.4 | |
| LLNCategory=single model extension of LCN2019.09 | 81.3 | |
| GBDTCategory=ensemble method2019.09 | 81.2 | |
| LCNCategory=(oblique) decision tree2019.09 | 78.1 | |
| ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=5M, Evaluation Protocol=Fine-tuned2022.09 | 76.2 | |
| ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=77M, Evaluation Protocol=Fine-tuned2022.09 | 74.9 | |
| ChemBERTa-2Pre-training Task=MLM, Pre-training Dataset Size=10M, Evaluation Protocol=Fine-tuned2022.09 | 74.8 | |
| ChemBERTa-1Evaluation Protocol=Fine-tuned2022.09 | 72.8 | |
| RFEvaluation Protocol=Fine-tuned2022.09 | 72.4 | |
| D-MPNNEvaluation Protocol=Fine-tuned2022.09 | 71.9 | |
| GCNEvaluation Protocol=Fine-tuned2022.09 | 68.8 | |
| TAOCategory=(oblique) decision tree2019.09 | 67.6 | |
| CARTCategory=(oblique) decision tree2019.09 | 65.1 | |
| HHCARTCategory=(oblique) decision tree2019.09 | 63.8 |