Qualitative prediction of blood-brain barrier permeability on a large and refined dataset (Q39896264)

15 September 2017

Qualitative prediction of blood-brain barrier permeability on a large and refined dataset (English)

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15 September 2017

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15 September 2017

4

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15 September 2017

Markus Muehlbacher

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PMCID

3241963

15 September 2017

Gudrun M Spitzer

series ordinal

2

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PMCID

3241963

15 September 2017

language of work or name

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23 November 2011

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Journal of Computer - Aided Molecular Design

15 September 2017

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15 September 2017

25

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15 September 2017

12

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15 September 2017

1095-1106

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https://scigraph.springernature.com/pub.10.1007/s10822-011-9478-1

15 September 2017

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22 September 2017

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22 September 2017

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22 September 2017

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15 June 2018

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20 August 2018

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20 August 2018

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20 August 2018

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

20 August 2018

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Size-intensive descriptors

20 August 2018

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The role of size and charge for blood-brain barrier permeation of drugs and fatty acids

20 August 2018

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Accurate prediction of the blood-brain partitioning of a large set of solutes using ab initio calculations and genetic neural network modeling.

20 August 2018

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In silico prediction of blood brain barrier permeability: an Artificial Neural Network model.

20 August 2018

1 reference

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Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3241963

Classification of substrates and inhibitors of P-glycoprotein using unsupervised machine learning approach.

20 August 2018

1 reference

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In silico ADME modelling: prediction models for blood-brain barrier permeation using a systematic variable selection method.

20 August 2018

1 reference

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Prediction of P-glycoprotein substrates by a support vector machine approach.

20 August 2018

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Prediction of blood-brain barrier permeation using quantum chemically derived information.

20 August 2018

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Modeling blood-brain barrier partitioning using the electrotopological state.

20 August 2018

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

20 August 2018

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

20 August 2018

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

20 August 2018

1 reference

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Potential of immobilized artificial membranes for predicting drug penetration across the blood-brain barrier.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3241963

Molecular factors influencing drug transfer across the blood-brain barrier.

20 August 2018

1 reference

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

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3241963

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

20 August 2018

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Crossref

https://api.crossref.org/works/10.1007%2FS10822-011-9478-1

Development of a Genetic Algorithm to Design and Identify Peptides that can Cross the Blood-Brain Barrier

21 January 2018

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https://api.crossref.org/works/10.1007%2FS10822-011-9478-1

In vitro primary human and animal cell-based blood-brain barrier models as a screening tool in drug discovery

21 January 2018

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12 December 2020

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

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12 December 2020

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

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12 December 2020

Generation of a set of simple, interpretable ADMET rules of thumb

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12 December 2020

Conformation-dependent QSPR models: logPOW

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12 December 2020

A simple model for the prediction of blood-brain partitioning

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12 December 2020

The blood-brain barrier

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12 December 2020

In vivo measurement of blood-brain barrier permeability

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12 December 2020

A recursive-partitioning model for blood-brain barrier permeation

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12 December 2020

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

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12 December 2020

10.1007/S10822-011-9478-1

Identifiers

DOI

1 reference

journals/jcamd/MuehlbacherSLK11

15 September 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

15 September 2017

1 reference

PMCID

3241963