Assessing potency of c-Jun N-terminal kinase 3 (JNK3) inhibitors using 2D molecular descriptors and binary QSAR methodology

Assessing the chemical and biological diversity of an ion channels knowledge database

Boosted regression trees, multivariate adaptive regression splines and their two-step combinations with multiple linear regression or partial least squares to predict blood-brain barrier passage: A case study

Recursive Partitioning for the Prediction of Cytochromes P450 2D6 and 1A2 Inhibition:? Importance of the Quality of the Dataset

Application of in silico Profiling to Drug Repurposing using AurPROFILER.

Assessment of GPCR ligands Diversity Using Molecular Properties-Based Functional Radars and Fragment Analysis

Improved Virtual Screening Strategies and Enrichment of Focused Libraries in Active Compounds Using Target-Oriented Databases