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Papers Benchmarks Datasets Tasks

Molecular prediction research benchmarks · SOTA2 Research

Molecular prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

79.42ROC AUC

46

May 18, 2026

83.2AUC

42

Feb 26, 2026

89.8AUC

42

Feb 26, 2026

84.6AUC (%)

42

Feb 26, 2026

78.7AUC

42

Feb 26, 2026

BACE full-shot (test)

85.27ROC-AUC

25

May 18, 2026

HIV full-shot (test)

79.42ROC-AUC

25

May 18, 2026

MUV full-shot (test)

0.847ROC-AUC

25

May 18, 2026

ClinTox full-shot (test)

77.36ROC-AUC

25

May 18, 2026

SIDER full-shot (test)

68.82ROC-AUC

25

May 18, 2026

ToxCast full-shot (test)

68.5ROC-AUC

25

May 18, 2026

Tox21 full-shot (test)

80.9ROC-AUC

25

May 18, 2026

BBBP full-shot (test)

70.18ROC-AUC

25

May 18, 2026

BACE 100-shot (test)

0.618ROC-AUC

15

Feb 26, 2026

HIV 100-shot (test)

0.698ROC AUC

15

Feb 26, 2026

MUV 100-shot (test)

0.67ROC-AUC

15

Feb 26, 2026

ClinTox 100-shot (test)

65.02ROC-AUC

15

Feb 26, 2026

SIDER 100-shot (test)

0.561ROC-AUC

15

Feb 26, 2026

ToxCast 100-shot (test)

0.594ROC-AUC

15

Feb 26, 2026

Tox21 100-shot (test)

0.649ROC-AUC

15

Feb 26, 2026

BBBP 100-shot (test)

56.97ROC-AUC

15

Feb 26, 2026

Patho-Bench Molecular 1.0 (test)

83.6TP53 Mutation AUC (BRCA)

5

Feb 26, 2026

Popular datasets

HIV MUV Tox21 ToxCast BBBP

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