hERG toxicity prediction in early drug discovery using extreme gradient boosting and isometric stratified ensemble mapping

Reliable Prediction of Caco-2 Permeability by Supervised Recursive Machine Learning Approaches

A Novel Automated Framework for QSAR Modeling of Highly Imbalanced Leishmania High-Throughput Screening Data

ADME prediction with KNIME: A retrospective contribution to the second “Solubility Challenge”

ADME prediction with KNIME: In silico aqueous solubility consensus model based on supervised recursive random forest approaches

ADME Prediction with KNIME: Development and Validation of a Publicly Available Workflow for the Prediction of Human Oral Bioavailability