Binary Classification on MoleculeNet Tox21 DeepChem (test)
81.8ROC AUCSVM
Evaluation results
| Method | Links | |
|---|---|---|
| SVMBackbone=SVM2021.06 | 81.8 | |
| MolCLRBackbone=GNN, Pre-training Strategy=Contrastive Learning2021.06 | 79.8 | |
| DMP_TF+GNNBackbone=Transformer + GNN, Pre-training Strategy=DMP2021.06 | 79.1 | |
| DMP_TF (100M)Backbone=Transformer, Pre-training Strategy=DMP, Pre-training Data Scale=100M2021.06 | 79 | |
| DMP_TFBackbone=Transformer, Pre-training Strategy=DMP2021.06 | 78.8 | |
| Hu et al.Backbone=GNN, Pre-training Strategy=Pre-trained2021.06 | 78.7 | |
| TF (MLM) + GNN (MLM)Backbone=Transformer + GNN2021.06 | 77.8 | |
| TF (MLM)Backbone=Transformer, Training Objective=MLM2021.06 | 77.6 | |
| DMP_GNN (100M)Backbone=GNN, Pre-training Strategy=DMP, Pre-training Data Scale=100M2021.06 | 77.5 | |
| TF (x2)Backbone=Dual Transformer2021.06 | 77.1 | |
| RFBackbone=Random Forest2021.06 | 76.9 | |
| DMP_GNNBackbone=GNN, Pre-training Strategy=DMP2021.06 | 76.7 | |
| DMP_TF w/o MLMBackbone=Transformer, Training Objective=Dual-view consistency2021.06 | 75.7 | |
| GNN (x2)Backbone=Dual GNN2021.06 | 75.1 | |
| GNN (MLM)Backbone=GNN2021.06 | 74.8 | |
| MGCNBackbone=MGCN2021.06 | 70.7 | |
| D-MPNNBackbone=D-MPNN2021.06 | 68.9 |