Man pages for angy89/hyQSAR
Hybrid QSAR model

build_predicted_resultsSave prediction results in a predefined folder
CCC_funcCCC function
combFunction to combine the results of the parallel random split...
compute_active_sizesFunction to compute the active size for each lambda
compute_meanFunction to compute the mean
compute_slope_and_interceptthis function compute slope a and intercept b for the...
evaluating_modelEvaluating QSAR regression model
filter_datasetA function to filter dataset
filter_metric_modelsFilter models
hat_matrixA function to compute hat matrix
hqsarRandom split for glmnet
lambda.gridFunction to compute the lambda grid values
plot_MD_GE_graphCreate molecular descriptors and MoA features interaction...
plot.RCVLassoFunction to plot the results of the random split cross...
plot_wpPlot williams Plot
Q2F1_funcQ2F1 function
Q2F2_funcQ2F2 function
Q2F3_funcQ2F3 function
R2_funcR2 function
random_split_Y_scrambleFunction to compute the scrambled R2 and Q2
RCVLassoParFunction to perform the random split analysis
stacking_regression_wrapperFunction to create a minimal stacking model
stacking_regressorFunction to create the stacking model
tqsarRandom split for glmnet
training_test_splitFunction to create train/test split
transform_dataTransform data matrix function
validation_metricsFunction to compute the Q2, CCC, Q2F1, Q2F2, Q2F3, and rm2...
validation_metrics_linearFunction to compute the Q2, CCC, Q2F1, Q2F2, Q2F3, and rm2...
williams_plotA function to create the williams plot and compute the...
williams_plot_linearA function to create the williams plot and compute the...
Y_scrambled_mseFunction to compute the scrambled MSE
angy89/hyQSAR documentation built on Sept. 24, 2019, 7:31 a.m.