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Benchmarks
JNK3 Property Optimization on ZINC
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94.73
AUC@1
MOLWORLD
39.506
53.843
68.18
82.517
May 9, 2026
AUC@1
AUC@10
AUC@100
Isomerism (Iso.)
Degree
Updated 22d ago
Evaluation Results
Method
Method
Links
AUC@1
AUC@10
AUC@100
Isomerism (Iso.)
Degree
MOLWORLD
Oracle calls=10000
2026.05
94.73
92.01
88.95
1.79
54.261
NFBO
Oracle calls=10000
2026.05
89.95
84.93
75.08
34.79
359.5501
MOLLEO
Oracle calls=10000
2026.05
85.03
82.66
77.84
23.34
10.9031
Aug-Mem
Oracle calls=10000
2026.05
81.58
78.64
74.24
53.48
8.2912
REINVENT
Oracle calls=10000
2026.05
81.22
78.29
73.97
26.47
35.4058
GraphGA
Oracle calls=10000
2026.05
63.95
60.93
55.37
38.02
6.191
GP-BO
Oracle calls=10000
2026.05
41.63
37.19
32.39
9.91
28.4886
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