| 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 |
|
Regression toward the mean |
| MF |
Molecular Formula |
| MW |
Molecular Weight(g/mol) |
| H-Bonds |
Hydrogen Bonds |