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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.
These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.