- Data sets adjustments
- Added a NEWS.md file to track changes to the package.
-
Included
viral
andsero
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.