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Table 3 Results on the Davis data set, with the mean and standard deviation from 10 repetitions

From: SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines

 

RMSE

AUC

AUPR

CI

MF

0.509 ± 0.010

0.876 ± 0.004

0.499 ± 0.017

0.816 ± 0.004

Continuous KronRLS

0.608 ± 0.002

0.942 ± 0.001

0.679 ± 0.003

0.860 ± 0.001

Binary KronRLS

–

0.931 ± 0.001

0.686 ± 0.006

–

SimBoost

0.247 ± 0.003

0.956 ± 0.001

0.758 ± 0.005

0.884 ± 0.001

SimBoostQuant

0.36 ± 0.001

0.942 ± 0.002

0.680 ± 0.002

0.871 ± 0.004

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Journal of Cheminformatics

ISSN: 1758-2946

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