Drug Discovery On Toxcast
评估指标
AUC
评测结果
各个模型在此基准测试上的表现结果
模型名称 | AUC | Paper Title | Repository |
|---|---|---|---|
| TrimNet | 0.777 | TrimNet: learning molecular representation from triplet messages for biomedicine | |
| GraphConv | 0.754 | Convolutional Networks on Graphs for Learning Molecular Fingerprints | - |
| GraphConv + dummy super node | 0.768 | Learning Graph-Level Representation for Drug Discovery | - |
| GIT-Mol(G+S) | 0.668 | GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text | - |
| ContextPred | 0.657 | Strategies for Pre-training Graph Neural Networks | - |
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