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Table 1 The best performance model by training four architectures with three featurization methods as input. Feature1 used a resolution of 20 × 20 × 20 and retained all atoms. Feature2 used a resolution of 24 × 24 × 24 and also retained all atoms. Feature3 used a resolution of 20 × 20 × 20 but ignored hydrogen and metal atoms

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

Architecture

Feature1

Feature2

Feature3

CNN1

0.0099

0.0104

0.0100

CNN2

0.0083

0.0089

0.0095

Res3

0.0092

0.0102

0.0103

Dense4

0.0101

0.0104

0.0101

  1. The best performance model on the validation set selected as the new scoring function model and named Sfcnn