Computational model for predicting chemical substituent effects on passive drug permeability across parallel artificial membranes

Molecular Pharmaceutics

Volumn 5, Issue 5, 2008, Pages 818-828

  Acharya, Chayan ^a   Seo, Paul R ^b   Polli, James E ^a   MacKerell Jr , Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^b CENTER FOR DRUG EVALUATION AND RESEARCH   (United States)

Author keywords

Bioavailability; Multiple regression; Oral absorption; PAMPA; Permeability; QSAR; Quantum mechanics; Substituent effects

Indexed keywords

BENZOIC ACID DERIVATIVE; HEXANE; PYRIDINE DERIVATIVE; QUINOLINE DERIVATIVE; WATER;

ARTICLE; ARTIFICIAL MEMBRANE; CONTROLLED STUDY; DISPERSION; DRUG PENETRATION; DRUG STRUCTURE; HYDROPHOBICITY; MATHEMATICAL MODEL; MEMBRANE PERMEABILITY; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLVATION;

BENZOIC ACIDS; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; MEMBRANES, ARTIFICIAL; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PERMEABILITY; PHARMACEUTICAL PREPARATIONS; PREDICTIVE VALUE OF TESTS; PYRIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY; QUINOLINES;

EID: 56049083999     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp800035h     Document Type: Article

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