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Hit Identification on HIV-Hi Lo-Hi benchmark

15.8AUPRCHyformer
3.5286.7149.913.086Apr 23, 2025

Evaluation results

MethodLinks
HyformerTraining Strategy=Joint pre-training2025.0415.8
HyformerTraining Strategy=no-joint (MLM loss only)2025.0415.4
Chemprop2025.0414.8
Graphormer2025.049.6
GBMolecular Descriptor=ECFP42025.048
KNNMolecular Descriptor=MACCS2025.047.2
KNNMolecular Descriptor=ECFP42025.046.7
GBMolecular Descriptor=MACCS2025.045.8
MLPMolecular Descriptor=MACCS2025.045.2
MLPMolecular Descriptor=ECFP42025.044.9
SVMMolecular Descriptor=MACCS2025.044.2
Dummy baseline2025.044
SVMMolecular Descriptor=ECFP42025.044