| AAE | Adversarial Autoencoder |
| AMR | Antimicrobial Resistance |
| ANN | Artificial Neural Network |
| ARDB | Antibiotic Resistance Genes Database |
| BN | Bayesian Network |
| CARD | Comprehensive Antibiotic Resistance Database |
| CPTAC | Clinical Proteomic Tumor Analysis Consortium |
| CRISPR-Cas9 | Clustered Regularly Interspaced Short Palindromic Repeat |
| cryo-EM | Cryo-Electron Microscopy |
| CSM | Computed Structure Models |
| DNN | Deep Neural Network |
| DT | Decision Tree |
| DTI | Drug–Target Interaction |
| ECFP | Extended Connectivity Fingerprints |
| EHR | Electronic Health Record |
| EST | Expressed Sequence Tag |
| GAN | Generative Adversarial Network |
| GAT | Graph Attention Networks |
| GBM | Gradient Boosting Algorithm |
| GCN | Graph Convolutional Network |
| GCPNet | Generic Crystal Pattern Graph Neural Network |
| GNN | Graph Neural Network |
| GPCRs | G Protein-Coupled Receptors |
| GPR | Gaussian Process Regression |
| GRU | Gated Recurrent Unit |
| GVS | Generative Virtual Screening |
| GWAS | Genome-Wide Association Study |
| HTS | High-Throughput Screening |
| IND | Investigational New Drug |
| KEGG | Kyoto Encyclopedia of Genes and Genomes |
| k-NN | k-Nearest Neighbor |
| KRR | Kernel Ridge Regression |
| LBVS | Ligand-Based Virtual Screening |
| LLM | Large Language Models |
| LR | Logistic Regression |
| LSTM | Long Short-Term Memory |
| MGC | Molecular Graph Convolution |
| MIPD | Model-Informed Precision Dosing |
| MLP | Multilayer Perceptron |
| MPNN | Message Passing Neural Network |
| MS | Mass Spectrometry |
| NB | Naïve Bayes |
| NCIGDC | National Cancer Institute Genomic Data Commons |
| NGS | Next-Generation Sequencing |
| NMR | Nuclear Magnetic Resonance |
| PCA | Principal Component Analysis |
| PDB | Protein Data Bank |
| PLS-DA | Partial Least Squares Discriminant Analysis |
| PPI | Protein–Protein Interaction |
| PTM | Post Translational Modification |
| QED | Quantitative Estimate of Drug Likeness |
| QSAR/QSPR | Quantitative Structure–Activity/Property Relationship |
| RF | Random Forest |
| RGNs | Recurrent Geometric Networks |
| RL | Reinforcement Learning |
| RNN | Recurrent Neural Network |
| SBVS | Structure-Based Virtual Screening |
| SE (3) | Special Euclidean |
| SELFIES | Self-Referencing Embedded Strings |
| SILAC | Stable Isotope Labeling by Amino Acids in Cell Culture |
| SMILES | Simplified Molecular Input Line Entry System |
| SNP | Single-Nucleotide Polymorphism |
| SOM | Self-Organizing Map |
| SRA | Sequence Read Archive |
| SVR | Support Vector Regression |
| TFN | Tensor Field Network |
| VAE | Variational Autoencoder |
| VEGFR2 | Vascular Endothelial Growth Factor Receptor 2 |