Man pages for angy89/hyQSAR
Hybrid QSAR model
| build_predicted_results | Save prediction results in a predefined folder |
| CCC_func | CCC function |
| comb | Function to combine the results of the parallel random split... |
| compute_active_sizes | Function to compute the active size for each lambda |
| compute_mean | Function to compute the mean |
| compute_slope_and_intercept | this function compute slope a and intercept b for the... |
| evaluating_model | Evaluating QSAR regression model |
| filter_dataset | A function to filter dataset |
| filter_metric_models | Filter models |
| hat_matrix | A function to compute hat matrix |
| hqsar | Random split for glmnet |
| lambda.grid | Function to compute the lambda grid values |
| plot_MD_GE_graph | Create molecular descriptors and MoA features interaction... |
| plot.RCVLasso | Function to plot the results of the random split cross... |
| plot_wp | Plot williams Plot |
| Q2F1_func | Q2F1 function |
| Q2F2_func | Q2F2 function |
| Q2F3_func | Q2F3 function |
| R2_func | R2 function |
| random_split_Y_scramble | Function to compute the scrambled R2 and Q2 |
| RCVLassoPar | Function to perform the random split analysis |
| stacking_regression_wrapper | Function to create a minimal stacking model |
| stacking_regressor | Function to create the stacking model |
| tqsar | Random split for glmnet |
| training_test_split | Function to create train/test split |
| transform_data | Transform data matrix function |
| validation_metrics | Function to compute the Q2, CCC, Q2F1, Q2F2, Q2F3, and rm2... |
| validation_metrics_linear | Function to compute the Q2, CCC, Q2F1, Q2F2, Q2F3, and rm2... |
| williams_plot | A function to create the williams plot and compute the... |
| williams_plot_linear | A function to create the williams plot and compute the... |
| Y_scrambled_mse | Function to compute the scrambled MSE |
