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Table 3 Ablation results of the proposed method on the DrugBank dataset

From: Bridging chemical structure and conceptual knowledge enables accurate prediction of compound-protein interaction

Setting

AUC

AUPR

Precision

Recall

ACC

w/o incomplete samples

\(0.882_{(\pm 0.003)}\)

\(0.897_{(\pm 0.003)}\)

\(0.805_{(\pm 0.013)}\)

\(0.797_{(\pm 0.002)}\)

\(0.802_{(\pm 0.008)}\)

w/o conceptual knowledge

\(0.919_{(\pm 0.004)}\)

\(0.920_{(\pm 0.004)}\)

\(0.821_{(\pm 0.004)}\)

\(0.867_{(\pm 0.009)}\)

\(0.839_{(\pm 0.004)}\)

w/o compound knowledge

\(0.940_{(\pm 0.003)}\)

\(0.940_{(\pm 0.002)}\)

\(0.854_{(\pm 0.014)}\)

\(0.875_{(\pm 0.012)}\)

\(0.863_{(\pm 0.008)}\)

w/o protein knowledge

\(0.949_{(\pm 0.002)}\)

\(0.947_{(\pm 0.002)}\)

\(0.860_{(\pm 0.011)}\)

\(0.892_{(\pm 0.008)}\)

\(0.873_{(\pm 0.004)}\)

Full dataset

\({\textbf {0.962}}_{(\pm 0.001)}\)

\({\textbf {0.961}}_{(\pm 0.002)}\)

\({\textbf {0.875}}_{(\pm 0.008)}\)

\({\textbf {0.922}}_{(\pm 0.006)}\)

\({\textbf {0.895}}_{(\pm 0.004)}\)