Benchmarking of QSAR Models for Blood-Brain Barrier Permeation

Dmitry A. Konovalov; Danny Coomans; Eric Deconinck; Yvan Vander Heyden

doi:10.1021/ci700100f

Benchmarking of QSAR Models for Blood-Brain Barrier Permeation

Journal of Chemical Information and Modeling ◽

10.1021/ci700100f ◽

2007 ◽

Vol 47 (4) ◽

pp. 1648-1656 ◽

Cited By ~ 47

Author(s):

Dmitry A. Konovalov ◽

Danny Coomans ◽

Eric Deconinck ◽

Yvan Vander Heyden

Keyword(s):

Blood Brain Barrier ◽

Brain Barrier ◽

Blood Brain ◽

Qsar Models

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Construction Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis.

ChemInform ◽

10.1002/chin.200507228 ◽

2005 ◽

Vol 36 (7) ◽

Author(s):

Dahua Pan ◽

Manisha Iyer ◽

Jianzhong Liu ◽

Yi Li ◽

Anton J. Hopfinger

Keyword(s):

Cluster Analysis ◽

Blood Brain Barrier ◽

Molecular Similarity ◽

Similarity Measures ◽

Brain Barrier ◽

Blood Brain ◽

Qsar Models ◽

And Cluster Analysis

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Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci0498057 ◽

2004 ◽

Vol 44 (6) ◽

pp. 2083-2098 ◽

Cited By ~ 38

Author(s):

Dahua Pan ◽

Manisha Iyer ◽

Jianzhong Liu ◽

Yi Li ◽

Anton J. Hopfinger

Keyword(s):

Cluster Analysis ◽

Blood Brain Barrier ◽

Molecular Similarity ◽

Similarity Measures ◽

Brain Barrier ◽

Blood Brain ◽

Qsar Models ◽

And Cluster Analysis

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Current State and Future Perspectives in QSAR Models to Predict Blood- Brain Barrier Penetration in Central Nervous System Drug R&D

Mini-Reviews in Medicinal Chemistry ◽

10.2174/1389557516666161013110813 ◽

2017 ◽

Vol 17 (3) ◽

pp. 247-257 ◽

Cited By ~ 6

Author(s):

Juan F. Morales ◽

Sebastian Scioli Montoto ◽

Pietro Fagiolino ◽

Maria E. Ruiz

Keyword(s):

Central Nervous System ◽

Nervous System ◽

Blood Brain Barrier ◽

Brain Barrier ◽

Future Perspectives ◽

Central Nervous System Drug ◽

Current State ◽

Blood Brain ◽

Barrier Penetration ◽

Qsar Models

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QSAR models based on isomorphic and nonisomorphic data fusion for predicting the blood brain barrier permeability

Journal of Computational Chemistry ◽

10.1002/jcc.20671 ◽

2007 ◽

Vol 28 (7) ◽

pp. 1252-1260 ◽

Cited By ~ 20

Author(s):

Manuel Urbano Cuadrado ◽

Irene Luque Ruiz ◽

Miguel Ángel Gómez-Nieto

Keyword(s):

Data Fusion ◽

Blood Brain Barrier ◽

Brain Barrier ◽

Barrier Permeability ◽

Blood Brain Barrier Permeability ◽

Blood Brain ◽

Brain Barrier Permeability ◽

Qsar Models

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Comparative in vivo and pathological analysis of the blood-brain barrier in mouse telencephalic transplants

Neuropathology and Applied Neurobiology ◽

10.1046/j.1365-2990.1996.3198031.x ◽

1996 ◽

Vol 22 (2) ◽

pp. 118-128 ◽

Cited By ~ 1

Author(s):

S. Isenmann ◽

S. Brandner ◽

G. Kuhne ◽

J. Boner ◽

A. Aguzzi

Keyword(s):

Blood Brain Barrier ◽

Brain Barrier ◽

Pathological Analysis ◽

Blood Brain

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Introduction to the Blood-Brain Barrier

10.1017/cbo9780511570216 ◽

1998 ◽

Cited By ~ 58

Keyword(s):

Blood Brain Barrier ◽

Brain Barrier ◽

Blood Brain

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Opioid Peptide Drug Development: Transport of Opioid Chimeric Peptides Through the Blood-Brain Barrier

PsycEXTRA Dataset ◽

10.1037/e496142006-013 ◽

1992 ◽

Author(s):

William M. Pardridge ◽

Keyword(s):

Drug Development ◽

Blood Brain Barrier ◽

Opioid Peptide ◽

Brain Barrier ◽

Peptide Drug ◽

Blood Brain ◽

Chimeric Peptides

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Conformationally Constrained Peptide Drugs Targeted at the Blood-Brain Barrier

PsycEXTRA Dataset ◽

10.1037/e495752006-004 ◽

1995 ◽

Author(s):

Thomas P. Davis ◽

Thomas J. Abbruscato ◽

Elizabeth Brownson ◽

Victor J. Hruby

Keyword(s):

Blood Brain Barrier ◽

Brain Barrier ◽

Peptide Drugs ◽

Conformationally Constrained ◽

Blood Brain

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Western Diet-Induced Hippocampal-Dependent Learning Deficits Are Associated With Impaired Energy Utilization, Hippocampal Inflammation, and Increased Regional Blood-Brain Barrier Permeability

PsycEXTRA Dataset ◽

10.1037/e544622014-001 ◽

2014 ◽

Author(s):

Sara L. Hargrave ◽

Terry L. Davidson ◽

Kimberly P. Kinzig

Keyword(s):

Blood Brain Barrier ◽

Western Diet ◽

Energy Utilization ◽

Brain Barrier ◽

Learning Deficits ◽

Barrier Permeability ◽

Blood Brain Barrier Permeability ◽

Blood Brain ◽

Brain Barrier Permeability ◽

Dependent Learning

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L-proline and glycine transport system from brain to blood across the blood-brain barrier

Neuroscience Research ◽

10.1016/s0168-0102(00)81220-1 ◽

2000 ◽

Vol 38 ◽

pp. S62

Author(s):

N Tokuda

Keyword(s):

Blood Brain Barrier ◽

Transport System ◽

Brain Barrier ◽

Blood Brain ◽

Glycine Transport

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