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Table 2 Method comparison results on Suzuki-Miyaura HTE dataset

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

 

RMSE \(\downarrow\)

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

MAE \(\downarrow\)

MetaRF

18.3102

0.6350

13.8344

Random forest [10, 16]

20.9239

0.5494

15.7090

DRFP [42]

21.0017

0.5158

15.1841

RXNFP [43, 44]

30.8297

0.0083

27.2992

Neural network [45]

23.3947

0.3961

19.8382

Support vector machine [46]

23.6997

0.3794

19.6562

Linear model [47]

24.3001

0.3480

19.9089

GemNet [48]

26.4485

0.2642

22.2841

  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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