| EC | Effective Concentration |
| GC | Group Contribution |
| DKL | Deep Kernel Learning |
| MSE | Mean Squared Error |
| SVM | Support Vector Machine |
| AARD | Average Absolute Relative Deviation |
| ASFC | Atom Surface Fragment Contribution |
| OECD | Organisation for Economic Co-operation and Development |
| RMSE | Root Mean Squared Error |
| QSAR | Quantitative Structure–Activity Relationship |
| SMILES | Simplified Molecular-Input Line Entry System |