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Papers Benchmarks Datasets Tasks

Molecule Classification research benchmarks · SOTA2 Research

Molecule Classification

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

ToxCast Task 8 (test)

0.256AUPRC

27

Feb 26, 2026

ToxCast Task 12 (test)

0.227AUPRC

27

Feb 26, 2026

Tox21 Task 2 (test)

63.33AUPRC

27

Feb 26, 2026

Tox21 Task 0 (test)

0.528AUPRC

27

Feb 26, 2026

PCBA scaffold (test)

0.292PR AUC

10

Feb 26, 2026

HIV scaffold (test)

0.788ROC AUC

10

Feb 26, 2026

ToxCast random (test)

0.749ROC AUC

10

Feb 26, 2026

Tox21 random (test)

87.4ROC AUC

10

Feb 26, 2026

MUV scaffold (test)

14.9PRC-AUC

10

Feb 26, 2026

Popular datasets

Tox21 ToxCast HIV MUV PCBA

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