Table 2 Graph representation ablation study. LM: Ligand Module. AP: Atom Pair.

From: Predicting target–ligand interactions with graph convolutional networks for interpretable pharmaceutical discovery

Method

Multiclass benchmark

Binary benchmark

Random Forest (AP descriptors)38

63.68

77.82

PharmaNet19

66.7

72.56

LM

72.29

82.58

PLA-Net

–

86.52

  1. Best performance in bold.
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