Advances in the prediction of gastrointestinal absorption: Quantitative Structure-Activity Relationship (QSAR) modelling of PAMPA permeability-Reference-Cited by-同舟云学术

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Advances in the prediction of gastrointestinal absorption: Quantitative Structure-Activity Relationship (QSAR) modelling of PAMPA permeability

Published:2019-05 Issue: Volume:10 Page:51-59
ISSN:2468-1113
Container-title:Computational Toxicology
language:en
Short-container-title:Computational Toxicology

Author:

Diukendjieva Antonia,Tsakovska Ivanka,Alov Petko,Pencheva Tania,Pajeva Ilza,Worth Andrew P.,Madden Judith C.,Cronin Mark T.D.

Publisher

Elsevier BV

Subject

Health, Toxicology and Mutagenesis,Computer Science Applications,Toxicology

Reference53 articles.

1. Screening for human ADME/Tox drug properties in drug discovery;Li;Drug Discovery Today,2001

2. ADMET in silico modelling: towards prediction paradise?;van de Waterbeemd;Nat. Rev. Drug Discovery,2003

3. Cruciani G. ADME-Space: a new tool for medicinal chemists to explore ADME properties;Bocci;Sci. Rep.,2017

4. A mechanistic approach to understanding the factors affecting drug absorption: a review of fundamentals;Martinez;J. Clin. Pharmacol.,2002

5. Relationships between structure and high-throughput screening permeability of diverse drugs with artificial membranes: application to prediction of Caco-2 cell permeability;Fujikawa;Bioorg. Med. Chem.,2005

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1. From mundane to surprising nonadditivity: drivers and impact on ML models;Journal of Computer-Aided Molecular Design;2024-07-25

2. Extending the limitations in the prediction of PAMPA permeability with machine learning algorithms;European Journal of Pharmaceutical Sciences;2023-09

3. Corneal Permeability and Uptake of Twenty-Five Drugs: Species Comparison and Quantitative Structure–Permeability Relationships;Pharmaceutics;2023-06-02

4. Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail;BBA Advances;2023

5. In silico–in vitro estimation of lipophilicity and permeability association for succinimide derivatives using chromatographic anisotropic systems and parallel artificial membrane permeability assay;Biomedical Chromatography;2022-06-02

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