Prediction of Blood-Brain Barrier Penetration (BBBP) Based on Molecular Descriptors of the Free-Form and In-Blood-Form Datasets

Prediction of the Blood–Brain Barrier (BBB) Permeability of Chemicals Based on Machine-Learning and Ensemble Methods

(2021) Lili Liu et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT

(2020) Xinhao Li et al.   Journal of Cheminformatics

Analyzing Learned Molecular Representations for Property Prediction

(2019) Kevin Yang et al.   Journal of Chemical Information and Modeling

Improved Classification of Blood-Brain-Barrier Drugs Using Deep Learning

(2019) Rui Miao et al.   Scientific Reports

MoleculeNet: a benchmark for molecular machine learning

(2018) Zhenqin Wu et al.   Chemical Science

Mordred: a molecular descriptor calculator

(2018) Hirotomo Moriwaki et al.   Journal of Cheminformatics

In Silico Prediction of Blood-Brain Barrier Permeability of Compounds by Machine Learning and Resampling Methods

(2018) Zhuang Wang et al.   ChemMedChem

A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

(2016) Antoine Daina et al.   ChemMedChem

CNS Drug Design: Balancing Physicochemical Properties for Optimal Brain Exposure

(2015) Zoran Rankovic   JOURNAL OF MEDICINAL CHEMISTRY

Crystal structure of the human glucose transporter GLUT1

(2014) Dong Deng et al.   NATURE

Tryps and trips: cell trafficking across the 100-year-old blood–brain barrier

(2014) Marina Bentivoglio et al.   TRENDS IN NEUROSCIENCES

Sugar for the brain: the role of glucose in physiological and pathological brain function

(2013) Philipp Mergenthaler et al.   TRENDS IN NEUROSCIENCES

A Bayesian Approach to in Silico Blood-Brain Barrier Penetration Modeling

(2012) Ines Filipa Martins et al.   Journal of Chemical Information and Modeling

Structure and function of the blood–brain barrier

(2009) N. Joan Abbott et al.   NEUROBIOLOGY OF DISEASE

QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

(2008) Liying Zhang et al.   PHARMACEUTICAL RESEARCH