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. 2023 Feb 16;15(2):675. doi: 10.3390/pharmaceutics15020675
DoubleSG-DTA Double Sequence and Graph to Predict drug–target Affinity
DTA drug–target affinities
EGFR epidermal growth factor receptor
EGFR-TKIs EGFR tyrosine kinase inhibitors
NSCLC Non-Small Cell Lung Cancer
T790M threonine 790 mutations
R& D Research and Development
SMILES Simplified Molecular Input Line Entry System
GIN Graph Isomorphism Network
SENet Squeeze-and-Excitation Network
MLP Multilayer Perceptrons
ReLU Rectified Linear Unit activation function
gap global average pooling
gmp global max pooling
RF Random Forest
SVM Support Vector Machine
FNN Feedforward Neural Network
CI Concordance index
MSE Mean Square Error
rm2 Regression toward the mean
MF Molecular Formula
MW Molecular Weight(g/mol)
H-Bonds Hydrogen Bonds