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Table 3 Method comparision results on Buchwald-Hartwig ELN dataset

From: MetaRF: attention-based random forest for reaction yield prediction with a few trails

 

RMSE \(\downarrow\)

\(R^{2}\) \(\uparrow\)

MAE \(\downarrow\)

MetaRF

22.2252

0.3782

17.4771

Random forest [10, 16]

26.0472

0.2511

20.8230

Neural network [45]

30.4522

-0.1197

23.2965

Support vector machine [46]

30.2837

-0.1283

23.0017

GemNet [48]

26.7396

0.1732

21.1857

YieldGNN [18]

/

0.1180

22.5000

  1. The bold values represent the performance of the proposed method
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Journal of Cheminformatics

ISSN: 1758-2946

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