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Table 2 Performance of Sfcnn on training, validation, CASF-2016, and CASF-2013 datasets

From: Sfcnn: a novel scoring function based on 3D convolutional neural network for accurate and stable protein–ligand affinity prediction

Dataset

R

RMSE

MAE

SD

Training set

0.9894

0.4402

0.3474

0.2854

Validation set

0.7336

1.2981

0.9391

1.2159

CASF-2016

0.7928

1.3263

1.0277

1.3253

CASF-2013

0.7946

1.4518

1.1139

1.4165

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BMC Bioinformatics

ISSN: 1471-2105

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