Drug Discovery On Tox21
المقاييس
AUC
النتائج
نتائج أداء النماذج المختلفة على هذا المعيار القياسي
| Paper Title | ||
|---|---|---|
| elEmBERT-V1 | 0.961 | Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties |
| TrimNet + Perforated Backpropagation | 0.885 | Perforated Backpropagation: A Neuroscience Inspired Extension to Artificial Neural Networks |
| SSVAE with multiple SMILES | 0.871 | All SMILES Variational Autoencoder |
| Ensemble predictor | 0.862 | ToxicBlend: Virtual Screening of Toxic Compounds with Ensemble Predictors |
| TrimNet | 0.860 | TrimNet: learning molecular representation from triplet messages for biomedicine |
| GraphConv + dummy super node | 0.854 | Learning Graph-Level Representation for Drug Discovery |
| GraphConv | 0.846 | Convolutional Networks on Graphs for Learning Molecular Fingerprints |
| SNN (SELU Network) | 0.845 | Self-Normalizing Neural Networks |
| ContextPred | 0.781 | Strategies for Pre-training Graph Neural Networks |
| GIT-Mol(G+S) | 0.759 | GIT-Mol: A Multi-modal Large Language Model for Molecular Science with Graph, Image, and Text |
| RNN-DFS | 0.748 | Relational Pooling for Graph Representations |
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