Skip to main content

Table 1 Performance for different number of descriptors

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

# Descriptors

# Layer

MAE

RMSE

PCC

SCC

SD

500

3

1.129

1.394

0.667

0.665

1.369

1000

3

1.094

1.366

0.681

0.682

1.346

1500

4

1.094

1.355

0.682

0.684

1.344

2000

4

1.071

1.330

0.696

0.697

1.320

2500

4

1.052

1.314

0.702

0.701

1.309

3000

4

1.061

1.324

0.695

0.694

1.321

Back to article page

BMC Bioinformatics

ISSN: 1471-2105

Contact us