| AUC |
Area under receiver operating characteristic curve |
| ANN |
Artificial neural network |
| CD93 |
Cluster of differentiation 93 |
| CIGIN 2 |
Chemically interpretable graph interaction network version 2 |
| CORREL |
Correlation coefficient |
| COVAR |
Covariance coefficient |
| CNN |
Convolutional neural network |
| CTSL |
Cathespin L |
| DELFOS |
Deep learning model for solvation-free energies in generic organic solvents |
| DL |
Deep learning |
| ET |
Extra tree regressor |
| GS |
Grid search |
| KNN |
k-nearest neighbours |
| MAE |
Mean absolute error |
| MAPE |
Mean absolute percentage error |
| MAX |
Maximum |
| MIN |
Minimum |
| MLP |
Multilayer perceptron |
| MP |
Molecular properties |
|
Negative log of expressed in molars |
|
Coefficient of determination |
| RF |
Random forest |
| RMSE |
Root mean square error |
| STD |
Standard deviation |
| SMILES |
Simplified molecular-input line-entry system |
| SVM |
Support vector machine |
| XGBoost |
Gradient boosted trees |