(Q52049942)

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

scientific article published in November 2001

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scholarly article

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Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

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

1 reference

Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

blood–brain barrier

1 reference

based on heuristic

inferred from title

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based on heuristic

inferred from title

author name string

Liu R

1

1 reference

Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

Sun H

2

1 reference

Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

So SS

3

1 reference

Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

publication date

1 November 2001

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Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

Journal of Chemical Information and Computer Sciences

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41

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Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

6

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Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

1623-1632

1 reference

Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

Relationship of octanol/water partition coefficient and molecular weight to rat brain capillary permeability

1 reference

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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

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A method to determine the ability of drugs to diffuse through the blood-brain barrier

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Designing libraries with CNS activity

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

1 reference

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Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices

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

1 reference

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Polar molecular surface properties predict the intestinal absorption of drugs in humans.

1 reference

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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

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Prediction of polar surface area and drug transport processes using simple parameters and PLS statistics

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

1 reference

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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

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Development of quantitative structure-property relationship models for early ADME evaluation in drug discovery. 1. Aqueous solubility

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

1 reference

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

1 reference

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Rapid calculation of polar molecular surface area and its application to the prediction of transport phenomena. 1. Prediction of intestinal absorption

1 reference

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Pharmaceutical innovation by the seven UK-owned pharmaceutical companies (1964-1985)

1 reference

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Evaluation of dynamic polar molecular surface area as predictor of drug absorption: comparison with other computational and experimental predictors

1 reference

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Identifiers

10.1021/CI010290I

1 reference

Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

DBLP publication ID

journals/jcisd/LiuSS01

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

20 April 2018

http://europepmc.org/abstract/MED/11749589

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