| AUC | Area Under the ROC Curve |
| BA | Balanced Accuracy |
| CV | Cross-Validation |
| ECFPs | Extended-Connectivity Fingerprints |
| GC | Gradient Clipping |
| HPs | Hyperparameters |
| LIF | Leaky Integrate-and-Fire (neuron model) |
| LR | Learning Rate |
| MFs | Molecular Fingerprints |
| ML | Machine Learning |
| NN | Neural Network (other than SNN) |
| QSAR | Quantitative Structure–Activity Relationship |
| QSPR | Quantitative Structure–Property Relationship |
| RF | Random Forest |
| ROC | Receiver Operating Characteristic |
| SGO | Stochastic Gradient Optimizer |
| SMILES | Simplified Molecular-Input Line-Entry System |
| SNN | Spiking Neural Network |
| WD | Weight Decay |