(Q48114822)

8 February 2018

title

Prediction of blood-brain barrier permeation using quantum chemically derived information (English)

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8 February 2018

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Michael C Hutter

1

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8 February 2018

publication date

1 July 2003

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8 February 2018

Journal of Computer - Aided Molecular Design

published in

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8 February 2018

volume

17

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8 February 2018

issue

7

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8 February 2018

page(s)

415-433

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8 February 2018

https://scigraph.springernature.com/pub.10.1023/a:1027359714663

exact match

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cites work

Hydrogen bonding. 33. Factors that influence the distribution of solutes between blood and brain.

1 reference

12 December 2020

Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 2. Prediction of blood-brain barrier penetration

1 reference

12 December 2020

Absorption prediction from physicochemical parameters

1 reference

12 December 2020

P-glycoprotein in the blood-brain barrier of mice influences the brain penetration and pharmacological activity of many drugs

1 reference

12 December 2020

Theoretical calculation and prediction of brain-blood partitioning of organic solutes using MolSurf parametrization and PLS statistics.

1 reference

12 December 2020

Descriptors, physical properties, and drug-likeness.

1 reference

12 December 2020

Prediction of intestinal absorption and blood-brain barrier penetration by computational methods

1 reference

12 December 2020

Blood-brain barrier transport of caffeine: dose-related restriction of adenine transport.

1 reference

12 December 2020

Computation of brain-blood partitioning of organic solutes via free energy calculations.

1 reference

12 December 2020

Development of quantitative structure-property relationship models for early ADME evaluation in drug discovery. 2. Blood-brain barrier penetration.

1 reference

12 December 2020

Hydrophobicity and central nervous system agents: on the principle of minimal hydrophobicity in drug design

1 reference

12 December 2020

Prediction of the brain-blood distribution of a large set of drugs from structurally derived descriptors using partial least-squares (PLS) modeling

1 reference

12 December 2020

Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists

1 reference

12 December 2020

High-throughput prediction of blood-brain partitioning: a thermodynamic approach

1 reference

12 December 2020

A simple model to predict blood-brain barrier permeation from 3D molecular fields

1 reference

12 December 2020

Role of pharmacokinetics and metabolism in drug discovery and development

1 reference

12 December 2020

Predicting blood-brain barrier permeation from three-dimensional molecular structure.

1 reference

12 December 2020

Predicting the brain-penetrating capability of histaminergic compounds

1 reference

12 December 2020

Polar molecular surface as a dominating determinant for oral absorption and brain penetration of drugs

1 reference

12 December 2020

Modeling blood-brain barrier partitioning using the electrotopological state.

1 reference

12 December 2020

A simple model for the prediction of blood-brain partitioning

1 reference

12 December 2020

Relationship between immobilised artificial membrane chromatographic retention and the brain penetration of structurally diverse drugs

1 reference

12 December 2020

Hydrogen-bonding. Part 36. Determination of blood brain distribution using octanol-water partition coefficients.

1 reference

12 December 2020

Computational approaches to the prediction of the blood-brain distribution

1 reference

12 December 2020

Blood-brain barrier permeability and in vivo activity of partial agonists of benzodiazepine receptor: a study of L-663,581 and its metabolites in rats

1 reference

12 December 2020

Correlation and prediction of a large blood-brain distribution data set--an LFER study

1 reference

12 December 2020

ADME evaluation in drug discovery. 1. Applications of genetic algorithms to the prediction of blood-brain partitioning of a large set of drugs.

1 reference

12 December 2020

Brain, liver and blood distribution kinetics of carbamazepine and its metabolic interaction with clomipramine in rats: a quantitative microdialysis study

1 reference

12 December 2020

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

1 reference

12 December 2020

Prediction of blood-brain partitioning using Monte Carlo simulations of molecules in water

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1027359714663

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8 February 2018

DBLP publication ID

journals/jcamd/Hutter03

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1026984856

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8 February 2018