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Virtual Screening on DUD-E 10 diverse targets
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99.1
Mean AUC
1-NN Tanimoto
81.108
85.779
90.45
95.121
Apr 8, 2026
Mean AUC
Wins
Updated 9d ago
Evaluation Results
Method
Method
Links
Mean AUC
Wins
1-NN Tanimoto
Type=No learning, Expl...
2026.04
99.1
-
Per-target RF
Type=Fingerprint, Trai...
2026.04
87.5
80
NESTDRUG
Type=GNN+FiLM
2026.04
85
20
3D-CNN
Type=3D CNN
2026.04
83
-
GNN-VS
Type=GNN
2026.04
82.5
-
AtomNet
Type=3D CNN
2026.04
81.8
-
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