Qualitative prediction of blood–brain barrier permeability on a large and refined dataset

Models for predicting blood–brain barrier permeation

(2011) Peter Aadal Nielsen et al.   DRUG DISCOVERY TODAY

Conformation-Dependent QSPR Models: logPOW

(2011) Markus Muehlbacher et al.   Journal of Chemical Information and Modeling

In VitroPrimary Human and Animal Cell-Based Blood−Brain Barrier Models as a Screening Tool in Drug Discovery

(2011) Olivier Lacombe et al.   MOLECULAR PHARMACEUTICS

Defining Desirable Central Nervous System Drug Space through the Alignment of Molecular Properties, in Vitro ADME, and Safety Attributes

(2010) Travis T. Wager et al.   ACS Chemical Neuroscience

PubChem as a public resource for drug discovery

(2010) Qingliang Li et al.   DRUG DISCOVERY TODAY

Application of PAMPA-models to predict BBB permeability including efflux ratio, plasma protein binding and physicochemical parameters

(2010) Jurgen Mensch et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

A Surface-Integral Model for LogPOW

(2010) Christian Kramer et al.   Journal of Chemical Information and Modeling

Prediction of passive blood–brain partitioning: Straightforward and effective classification models based on in silico derived physicochemical descriptors

(2010) Santiago Vilar et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

The Permeation of Neutral Molecules, Ions, and Ionic Species Through Membranes: Brain Permeation as an Example

(2010) Michael H. Abraham   JOURNAL OF PHARMACEUTICAL SCIENCES

Lipophilicity and Its Relationship with Passive Drug Permeation

(2010) Xiangli Liu et al.   PHARMACEUTICAL RESEARCH

Regulation of P-glycoprotein and other ABC drug transporters at the blood–brain barrier

(2010) David S. Miller   TRENDS IN PHARMACOLOGICAL SCIENCES

Defining optimum lipophilicity and molecular weight ranges for drug candidates—Molecular weight dependent lower logD limits based on permeability

(2009) Michael J. Waring   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Novel and emerging strategies in drug delivery for overcoming the blood–brain barrier

(2009) David D Stenehjem et al.   Future Medicinal Chemistry

Pathological changes of the blood-brain barrier in dementias

(2009) B.O. Popescu   JOURNAL OF THE NEUROLOGICAL SCIENCES

Classification of Blood-Brain Barrier Permeation by Kohonen's Self-Organizing Neural Network (KohNN) and Support Vector Machine (SVM)

(2009) Zhi Wang et al.   Quantitative structure-activity relationships & combinatorial science

Physiochemical drug properties associated with in vivo toxicological outcomes

(2008) Jason D. Hughes et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Developing drugs that can cross the blood-brain barrier: applications to Alzheimer's disease

(2008) William A Banks   BMC NEUROSCIENCE

Computational toxicology in drug development

(2008) Wolfgang Muster et al.   DRUG DISCOVERY TODAY

Predicting blood–brain barrier penetration from molecular weight and number of polar atoms

(2008) Xu-Chun Fu et al.   EUROPEAN JOURNAL OF PHARMACEUTICS AND BIOPHARMACEUTICS

Parameterization of an empirical model for the prediction of n-octanol, alkane and cyclohexane/water as well as brain/blood partition coefficients

(2008) Mohamed Zerara et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Size-intensive descriptors

(2008) George D. Purvis   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

(2008) M. Paul Gleeson   JOURNAL OF MEDICINAL CHEMISTRY

Comparison of blood–brain barrier permeability assays: in situ brain perfusion, MDR1-MDCKII and PAMPA-BBB

(2008) Li Di et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

New Predictive Models for Blood–Brain Barrier Permeability of Drug-like Molecules

(2008) Sandhya Kortagere et al.   PHARMACEUTICAL RESEARCH

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

(2008) Liying Zhang et al.   PHARMACEUTICAL RESEARCH

In silico prediction of brain and CSF permeation of small molecules using PLS regression models

(2007) Stefanie Bendels et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY