Molecular Property Prediction on ClinTox (test)
88.3ROC-AUCGIT-Mol
Evaluation Results
| Method | Links | |
|---|---|---|
| GIT-MolInput Modality=Graph + SMILES2023.08 | 88.3 | |
| GIT-MolInput Modality=SMILES2023.08 | 83.5 | |
| MoMu2023.08 | 79.9 | |
| GraphMVP2023.08 | 79.1 | |
| Mole-BERT2023.08 | 78.9 | |
| GIT-MolInput Modality=Graph2023.08 | 78.9 | |
| MGSSL (BFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 78.7 | |
| MGSSL (DFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 78.1 | |
| GraphCL2023.08 | 77.5 | |
| SUPTsoftPre-training Strategy=AttrMasking2024.02 | 77.36 | |
| GPF-plusPre-training Strategy=AttrMasking2022.09 | 76.17 | |
| SUPTsoftPre-training Strategy=Infomax2024.02 | 76.08 | |
| GroverBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 75.8 | |
| SUPThardPre-training Strategy=Infomax2024.02 | 75.65 | |
| SUPTsoftPre-training Strategy=ContextPred2024.02 | 75.55 | |
| GPF-plusPre-training Strategy=ContextPred2022.09 | 75.25 | |
| SUPThardPre-training Strategy=AttrMasking2024.02 | 75.25 | |
| FTPre-training Strategy=GCL2022.09 | 75.17 | |
| FTPre-training Strategy=GCL2024.02 | 75.17 | |
| GPF-plusPre-training Strategy=Infomax2022.09 | 75.12 | |
| InfomaxBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 75.1 | |
| GPFPre-training Strategy=AttrMasking2022.09 | 75.06 | |
| GPT-GNNBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 75 | |
| SUPThardPre-training Strategy=ContextPred2024.02 | 74.9 | |
| Attribute maskingBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 74.7 | |
| GPFPre-training Strategy=ContextPred2022.09 | 74.51 | |
| FTPre-training Strategy=AttrMasking2022.09 | 74.46 | |
| FTPre-training Strategy=AttrMasking2024.02 | 74.46 | |
| GPF-plusPre-training Strategy=AttrMasking2024.02 | 74.17 | |
| GPFPre-training Strategy=Infomax2024.02 | 74.14 | |
| GCCBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 74.1 | |
| GPF-plusPre-training Strategy=GCL2022.09 | 73.9 | |
| FTPre-training Strategy=ContextPred2022.09 | 73.71 | |
| FTPre-training Strategy=ContextPred2024.02 | 73.71 | |
| GPF-plusPre-training Strategy=Infomax2024.02 | 73.61 | |
| GPFPre-training Strategy=Infomax2022.09 | 73.56 | |
| GPFPre-training Strategy=ContextPred2024.02 | 73.15 | |
| GPF-plusPre-training Strategy=ContextPred2024.02 | 72.73 | |
| GPFPre-training Strategy=AttrMasking2024.02 | 72.72 | |
| GPFPre-training Strategy=GCL2022.09 | 72.06 | |
| No pretrainBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 71.7 | |
| SUPTsoftPre-training Strategy=GCL2024.02 | 71.21 | |
| SUPTsoftPre-training Strategy=EdgePred2024.02 | 70.41 | |
| FTPre-training Strategy=Infomax2022.09 | 70.06 | |
| FTPre-training Strategy=Infomax2024.02 | 70.06 | |
| SUPThardPre-training Strategy=EdgePred2024.02 | 69.97 | |
| GPF-plusPre-training Strategy=EdgePred2024.02 | 69.58 | |
| GPFPre-training Strategy=EdgePred2022.09 | 69.49 | |
| GPFPre-training Strategy=GCL2024.02 | 69.48 | |
| SUPThardPre-training Strategy=GCL2024.02 | 69.47 | |
| FTPre-training Strategy=EdgePred2022.09 | 69.07 | |
| FTPre-training Strategy=EdgePred2024.02 | 69.07 | |
| GPF-plusPre-training Strategy=GCL2024.02 | 68.89 | |
| GPF-plusPre-training Strategy=EdgePred2022.09 | 68.8 | |
| GPFPre-training Strategy=EdgePred2024.02 | 67.92 | |
| GPPT (w/o ol)Pre-training Strategy=EdgePred2022.09 | 62.15 | |
| GPPTw/o olPre-training Strategy=EdgePred2024.02 | 62.15 | |
| GPPTPre-training Strategy=EdgePred2022.09 | 59.81 | |
| GPPTPre-training Strategy=EdgePred2024.02 | 59.81 | |
| GraphPromptPre-training Strategy=EdgePred2022.09 | 55.37 | |
| GraphPromptPre-training Strategy=EdgePred2024.02 | 55.37 |