Molecular Property Prediction On Muv 1

ROC-AUC

評価結果

このベンチマークにおける各モデルのパフォーマンス結果

モデル名	ROC-AUC	Paper Title	Repository
IterRefLSTM	67.00	Low Data Drug Discovery with One-shot Learning	-
Deep-CBN	99.8	Integrating convolutional layers and biformer network with forward-forward and backpropagation training
BioAct-Het	69.47	BioAct-Het: A Heterogeneous Siamese Neural Network for Bioactivity Prediction Using Novel Bioactivity Representatio
Uni-Mol	82.1	Uni-Mol: A Universal 3D Molecular Representation Learning Framework
S-CGIB	77.71±1.19	Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck

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