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. 2023 May 5;24(9):8326. doi: 10.3390/ijms24098326
DTA Drug–Target Binding Affinity
GNNs Graph Neural Networks
CNN Convolutional Neural Networks
GCN Graph Convolutional Network
GAT Graph Attention Network
SMILES Simplified Molecular Input Line Entry Specification
MSA Multiple Sequence Alignment
MSE Mean Squared Error
CI Concordance Index
rm2 Regression Towards the Mean
Kd Dissociation Constants
Ki Inhibition Constant
IC50 Half-Maximal Inhibitory Concentration
PYG PyTorch Geometric
EGFR Epidermal Growth Factor Receptor