Molecular Property Prediction on ToxCast (test)
68.5ROC-AUCSUPTsoft
Evaluation Results
| Method | Links | |
|---|---|---|
| SUPTsoftPre-training Strategy=ContextPred2024.02 | 68.5 | |
| SUPThardPre-training Strategy=ContextPred2024.02 | 68.4 | |
| GPFPre-training Strategy=ContextPred2022.09 | 67.92 | |
| GPF-plusPre-training Strategy=ContextPred2024.02 | 67.72 | |
| GPFPre-training Strategy=ContextPred2024.02 | 67.68 | |
| GPF-plusPre-training Strategy=ContextPred2022.09 | 67.58 | |
| SUPTsoftPre-training Strategy=AttrMasking2024.02 | 67.02 | |
| GIT-MolInput Modality=Graph + SMILES2023.08 | 66.8 | |
| SUPThardPre-training Strategy=AttrMasking2024.02 | 66.79 | |
| SUPTsoftPre-training Strategy=EdgePred2024.02 | 66.65 | |
| GPF-plusPre-training Strategy=AttrMasking2022.09 | 66.58 | |
| SUPTsoftPre-training Strategy=Infomax2024.02 | 66.53 | |
| GPF-plusPre-training Strategy=AttrMasking2024.02 | 66.53 | |
| SUPThardPre-training Strategy=Infomax2024.02 | 66.48 | |
| SUPThardPre-training Strategy=EdgePred2024.02 | 66.44 | |
| FTPre-training Strategy=ContextPred2022.09 | 66.39 | |
| FTPre-training Strategy=ContextPred2024.02 | 66.39 | |
| GPF-plusPre-training Strategy=Infomax2022.09 | 66.35 | |
| GPFPre-training Strategy=AttrMasking2022.09 | 66.32 | |
| FTPre-training Strategy=EdgePred2022.09 | 66.29 | |
| FTPre-training Strategy=EdgePred2024.02 | 66.29 | |
| GPFPre-training Strategy=Infomax2022.09 | 66.1 | |
| GPFPre-training Strategy=AttrMasking2024.02 | 66.09 | |
| GPFPre-training Strategy=Infomax2024.02 | 65.96 | |
| GPF-plusPre-training Strategy=EdgePred2022.09 | 65.94 | |
| GPF-plusPre-training Strategy=Infomax2024.02 | 65.83 | |
| GPFPre-training Strategy=EdgePred2024.02 | 65.7 | |
| GPF-plusPre-training Strategy=EdgePred2024.02 | 65.66 | |
| GPFPre-training Strategy=EdgePred2022.09 | 65.65 | |
| FTPre-training Strategy=AttrMasking2022.09 | 65.34 | |
| FTPre-training Strategy=AttrMasking2024.02 | 65.34 | |
| GIT-MolInput Modality=Graph2023.08 | 65.3 | |
| FTPre-training Strategy=Infomax2022.09 | 65.16 | |
| FTPre-training Strategy=Infomax2024.02 | 65.16 | |
| GPPT (w/o ol)Pre-training Strategy=EdgePred2022.09 | 64.86 | |
| GPPTw/o olPre-training Strategy=EdgePred2024.02 | 64.86 | |
| Mole-BERT2023.08 | 64.3 | |
| MGSSL (BFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 64.1 | |
| MGSSL (DFS)Backbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 63.8 | |
| GCCBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 63.5 | |
| SUPTsoftPre-training Strategy=GCL2024.02 | 63.42 | |
| GroverBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 63.4 | |
| MoMu2023.08 | 63.4 | |
| SUPThardPre-training Strategy=GCL2024.02 | 63.35 | |
| No pretrainBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 63.3 | |
| Attribute maskingBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 63.3 | |
| GPT-GNNBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 63.1 | |
| GraphMVP2023.08 | 63.1 | |
| GraphCL2023.08 | 63 | |
| InfomaxBackbone=GIN, Evaluation Protocol=Fine-tuning2021.10 | 62.8 | |
| GPF-plusPre-training Strategy=GCL2022.09 | 62.76 | |
| GPFPre-training Strategy=GCL2022.09 | 62.7 | |
| FTPre-training Strategy=GCL2022.09 | 62.54 | |
| FTPre-training Strategy=GCL2024.02 | 62.54 | |
| GIT-MolInput Modality=SMILES2023.08 | 62.1 | |
| GPF-plusPre-training Strategy=GCL2024.02 | 61.47 | |
| GPFPre-training Strategy=GCL2024.02 | 60.73 | |
| GraphPromptPre-training Strategy=EdgePred2022.09 | 60.54 | |
| GraphPromptPre-training Strategy=EdgePred2024.02 | 60.54 | |
| GPPTPre-training Strategy=EdgePred2022.09 | 60.34 | |
| GPPTPre-training Strategy=EdgePred2024.02 | 60.34 | |
| KV-PLM2023.08 | 55 |