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 |

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