| AI | Artificial Intelligence |
| ADME | Absorption, Distribution, Metabolism, and Excretion |
| ADMET | Absorption, Distribution, Metabolism, Excretion, and Toxicity |
| ALE | Accumulated Local Effects |
| CAM | Class Activation Mapping |
| CNN | Convolutional Neural Networks |
| DDI | Drug–Drug Interactions |
| DL | Deep Learning |
| DNA | Deoxyribonucleic Acid |
| DTI | drug–target interaction |
| EHR | Electronic Health Records |
| FDA | Food and Drug Administration |
| FL | Federated learning |
| GAM | Generalized Additive Models |
| GAP | Global Average Pooling |
| GNN | Graph Neural Networks |
| HGP | Human Genome Project |
| HTS | High-Throughput Screening |
| ICU | Intensive Care Unit |
| IID | Independent and Identically Distributed |
| LIME | Local Interpretable Model-Agnostic Explanation |
| LLM | Large Language Model |
| MDS | Molecular Dynamics Simulations |
| ML | Machine Learning |
| NLP | Natural Language Processing |
| NN | Neural Networks |
| PDP | Partial Dependence Plots |
| QSAR | Quantitative Structure–Activity Relationship |
| RNN | Recurrent Neural Networks |
| SHAP | Shapley Additive exPlanations |
| SVM | Support vector Machine |
| XAI | Explainable Artificial Intelligence |