Protein target prediction using random forests and reliability-density neighbourhood analysis

A cheminformatics package to perform Applicability Domain of molecular fingerprints based in similarity calculation.

Classification models for hemolytic nature and hemolytic activity predictions in peptide/protein sequences

Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets

Allows to visualize and analyze if the molecules of the test set and of an external set are contained in the convex hull defined by the molecules of the training set.

Reference implementation of the Vanishing Ranking Kernels (VRK) method

Applicability Domain Methods of Viral Load and CD4 Lymphocytes.