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Benchmarks
High-throughput screening on PubChem AID 2689
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0.415
logAUC [0.001, 0.1]
MolKGNN
0.25796
0.29873
0.3395
0.38027
Apr 25, 2026
logAUC [0.001, 0.1]
Updated 1mo ago
Evaluation Results
Method
Method
Links
logAUC [0.001, 0.1]
MolKGNN
2026.04
0.415
SphereNet
2026.04
0.401
DimeNet++
2026.04
0.367
ChiRo
2026.04
0.351
OverlapBPE
Chirality=chiral
2026.04
0.348
OverlapBPE
Chirality=non-chiral
2026.04
0.343
SchNet
2026.04
0.324
KerGNN
2026.04
0.264
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