Descriptor-Free Deep Learning QSAR Model for the Fraction Unbound in Human Plasma

Frontiers Descriptor Free QSAR Modeling Using Deep Learning With Long Short-Term Memory Neural Networks

Plots of the experimental and predicted f u,p by the DruMAP server and

Systematic analysis of protein targets associated with adverse events of drugs from clinical trials and post-marketing reports

Descriptor-Free Deep Learning QSAR Model for the Fraction Unbound in Human Plasma

Histogram plot of the frequency of compounds from the data set

Descriptor-Free Deep Learning QSAR Model for the Fraction Unbound in Human Plasma

Frontiers Descriptor Free QSAR Modeling Using Deep Learning With Long Short-Term Memory Neural Networks

In silico prediction of brain exposure: drug free fraction, unbound brain to plasma concentration ratio and equilibrium half-life. - Abstract - Europe PMC

Current Status of Methods for Defining the Applicability Domain of (Quantitative) Structure-Activity Relationships: The Report and Recommendations of ECVAM Workshop 521,2 - Tatiana I. Netzeva, Andrew P. Worth, Tom Aldenberg, Romualdo Benigni

Unbound Brain-to-Plasma Partition Coefficient, Kp,uu,brain—a Game Changing Parameter for CNS Drug Discovery and Development

Comparison of a QSAR model (here a random forest) with the deep

QSAR without borders - Chemical Society Reviews (RSC Publishing) DOI:10.1039/D0CS00098A

A Novel Methodology for Human Plasma Protein Binding: Prediction Validation and Applicability Domain - Pharmaceutical and Biomedical Research