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Benchmarks
High-throughput screening on PubChem AID 485290
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49.8
logAUC [0.001, 0.1]
MolKGNN
21.2
28.625
36.05
43.475
Apr 25, 2026
logAUC [0.001, 0.1]
Updated 1mo ago
Evaluation Results
Method
Method
Links
logAUC [0.001, 0.1]
MolKGNN
2026.04
49.8
OverlapBPE
Chirality=chiral
2026.04
47.4
DimeNet++
2026.04
46.3
SphereNet
2026.04
45
OverlapBPE
Chirality=non-chiral
2026.04
34.1
SchNet
2026.04
33.3
ChiRo
2026.04
29.5
KerGNN
2026.04
22.3
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