| CADD | Computer-Aided Drug Designing |
| SMILES | Simplified Molecular-Input Line-Entry System |
| GA | Genetic Algorithm |
| MLR | Multiple Linear Regression |
| QSAR | Quantitative Structure–Activity Relationship |
| OLS | Ordinary Least Square |
| QSARINS | QSAR Insubria |
| OECD | Organization for Economic Co-operation and Development |
| OFS | Objective Feature Selection |
| SFS | Subjective Feature Selection |
| HER2 | Human Epidermal growth factor Receptor 2 |
| TNBC | Triple Negative Breast Cancer |
| ER | Estrogen Receptor |
| PR | Progesterone Receptor |
| BCCL | Breast Cancer Cell Line |
| LOF | Lack of Fit (Friedmann Parameter) |
| RMSE | Root Mean Square Error |
| MAE | Mean Absolute Error |
| RSS | Residual Sum of Squares |
| CCC | Concordance Correlation Coefficient |
| PRESS | Predictive Residual Sum of Squares |
| LOO | Leave One Out |
| LMO | Leave Many Out |