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Molecular Property Prediction On Toxcast 1

评估指标

ROC-AUC

评测结果

各个模型在此基准测试上的表现结果

		Paper Title	Repository
DumplingGNN	78.2	Dumpling GNN: Hybrid GNN Enables Better ADC Payload Activity Prediction Based on Chemical Structure	-
S-CGIB	70.95±0.27	Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck	-
Uni-Mol	69.6	Uni-Mol: A Universal 3D Molecular Representation Learning Framework	-
ChemRL-GEM	69.2	ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction	-
PretrainGNN	65.7	Strategies for Pre-training Graph Neural Networks
D-MPNN	65.5	Analyzing Learned Molecular Representations for Property Prediction
GROVER (base)	65.4	Self-Supervised Graph Transformer on Large-Scale Molecular Data
GROVER (large)	65.3	Self-Supervised Graph Transformer on Large-Scale Molecular Data

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Molecular Property Prediction On Toxcast 1 | SOTA | HyperAI超神经