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Reaction yield prediction research benchmarks · SOTA2 Research

Reaction yield prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

Buchwald-Hartwig (Avg. 1-4)

0.794R^2

4

Feb 26, 2026

Buchwald-Hartwig (test 4)

0.633R-squared

4

Feb 26, 2026

Buchwald-Hartwig (test 3)

0.787R^2

4

Feb 26, 2026

Buchwald-Hartwig (test 2)

0.91R^2

4

Feb 26, 2026

Buchwald-Hartwig (test 1)

0.85R^2

4

Feb 26, 2026

Buchwald-Hartwig (Rand 70/30)

0.969R^2

4

Feb 26, 2026

Suzuki-Miyaura (Rand 70/30)

0.81R-squared

2

Feb 26, 2026

Popular datasets

Buchwald-Hartwig Suzuki-Miyaura

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