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Reaction prediction research benchmarks · SOTA2 Research

Reaction prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

84.9Average Similarity

14

Apr 10, 2026

91Exact Match

12

Apr 20, 2026

USPTO-480k canonical (test)

8.5Latency (s)

5

Feb 26, 2026

RMechDB Atmospheric (test)

62.1Top-1 Acc

5

Feb 26, 2026

RMechDB Core (test)

64.3Top-1 Acc

5

Feb 26, 2026

92.5Top-1 Accuracy

1

Feb 26, 2026

Popular datasets

USPTO RMechDB USPTO-MIT ChemRxn

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