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Papers Benchmarks Datasets Tasks

Property optimization research benchmarks · SOTA2 Research

Property optimization

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

ZINC250K (test)

0.8441st Order Metric

33

Feb 26, 2026

PMV21 JNK3 (test)

0.405AUC@1

19

May 12, 2026

MOSES ~1.5M molecules (test)

85C.V.U.N. Score

16

Mar 25, 2026

PMV21 GSK3B (test)

68.08AUC@1

13

May 12, 2026

PMV21 DRD2 (test)

97.06AUC@1

13

May 12, 2026

PMV21 QED (test)

94.48AUC@1

13

May 12, 2026

0.236QED

7

Mar 9, 2026

100SR5

4

Feb 27, 2026

82SR@5

3

Feb 27, 2026

Carbon-24 (test)

50SR5

3

Feb 27, 2026

Pharmacokinetic and toxicity properties (AMES, BBBP, CYP3A4, DILI, HIA, PGP)

48.2AMES Accuracy

2

Mar 4, 2026

Popular datasets

PMV ZINC MP-20 Perov Carbon

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