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Table 4 Ablation test results with CASF-benchmark datasets

From: Binding affinity prediction for protein–ligand complex using deep attention mechanism based on intermolecular interactions

Datasets

Methods

MAE

RMSE

PCC

SCC

SD

CASF-2016

D

1.145

1.442

0.771

0.771

1.384

D + A

1.092

1.389

0.783

0.784

1.351

D + V

1.075

1.367

0.796

0.790

1.317

D + V + A

1.021

1.308

0.819

0.819

1.247

CASF-2013

D

1.292

1.579

0.725

0.723

1.550

D + A

1.270

1.540

0.736

0.731

1.524

D + V

1.246

1.521

0.755

0.755

1.476

D + V + A

1.170

1.457

0.771

0.774

1.433

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BMC Bioinformatics

ISSN: 1471-2105

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