HyperAI超神经

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
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

0 of 8 row(s) selected.

HyperAI超神经

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
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

0 of 8 row(s) selected.