# Reaction yield prediction on Buchwald-Hartwig (Rand 70/30)

Source: [Reaction yield prediction on Buchwald-Hartwig (Rand 70/30)](<https://www.sota2.com/research/sota/reaction-yield-prediction-on-buchwald-hartwig-rand-70-30>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2026-02-26T06:00:52.527Z

Evaluation of models on predicting reaction yields using the Buchwald-Hartwig dataset split 70/30, typically measured using R-squared (R^2).

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

| Scope | Recorded value |
| --- | --- |
| Task | Reaction yield prediction |
| Dataset (including any stated split) | Buchwald-Hartwig (Rand 70/30) |
| Metric | R^2 |
| Unit | SCALAR |
| Direction | Higher is better |
| Results loaded | 4 of 4 |
| Coverage | All results currently returned for this benchmark |

Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol.

## Metrics

- [R^2](<https://www.sota2.com/research/sota/reaction-yield-prediction-on-buchwald-hartwig-rand-70-30.md?metric=R%5E2>): Higher is better; unit: SCALAR.

## Recorded results

| Method | R^2 | Result date | Report paper |
| --- | --- | --- | --- |
| Yield-BERT-DA | 0.969 | Not recorded | 68fa492f1e209131ce9354fd |
| ChemBFN | 0.952 | Not recorded | 68fa492f1e209131ce9354fd |
| Yield-BERT | 0.951 | Not recorded | 68fa492f1e209131ce9354fd |
| MFF | 0.927 | Not recorded | 68fa492f1e209131ce9354fd |

### Yield-BERT-DA

R^2: 0.969. Result ID: 698b9f147a967eddb7701824.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### ChemBFN

R^2: 0.952. Result ID: 698b9f147a967eddb7701825.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

[Implementation](<https://github.com/Augus1999/bayesian-flow-network-for-chemistry>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### Yield-BERT

R^2: 0.951. Result ID: 698b9f147a967eddb7701823.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### MFF

R^2: 0.927. Result ID: 698b9f147a967eddb7701822.

[Reporting paper](<https://www.sota2.com/research/paper/68fa492f1e209131ce9354fd.md>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

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