Included viral
and sero
datasets for testing and demonstrating package functionality.
Implemented knn_domain_score
function for calculating domain applicability scores based on K-Nearest Neighbor models.
Implemented mars_domain_score
function for calculating domain applicability scores based on Multivariate Adaptive Regression Splines models.
Implemented nn_domain_score
function for calculating domain applicability scores based on Neural Network models.
Implemented simple_domain_plot
function to generate a domain plot for a simple model based on PCA distances. This function provides a visual representation of the domain applicability for the given data.
Implemented rf_domain_score
function for calculating domain applicability scores based on Random Forest models.
Implemented normalized_domain_plot
function to generate a domain plot for a normalized model based on PCA distances.