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Proposer Evaluation on MoleculeNet Tox21 3.5% prevalence (random)

0.046DQSInformed-Prior
0.015160.223330.43150.63967Mar 12, 2026

Evaluation results

MethodLinks
Informed-Prior2026.030.046
BSDS-1Round2026.030.054
Retrieval2026.030.058
Greedy-ML2026.030.086
Ensemble2026.030.112
BSDS-NoAug2026.030.127
BSDS-Recursive2026.030.137
BSDS-Guided2026.030.144
Greedy-MLP-NN2026.030.177
Generative2026.030.624
Random2026.030.817