QSAR prediction of the penetration of drugs across a polydimethylsiloxane membrane

QSAR and Combinatorial Science

Volumn 25, Issue 10, 2006, Pages 895-904

  Ma, Weiping ^a   Luan, Feng ^a   Zhao, Chunyan ^a   Zhang, Xiaoyun ^a   Liu, Mancang ^a   Hu, Zhide ^a   Fan, Botao ^b  

^a LANZHOU UNIVERSITY   (China)

^b UNIVERSITÉ PARIS DIDEROT   (France)

Author keywords

Heuristic method; Maximum steady state flux; Molecular descriptor; Permeability; QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; MEAN SQUARE ERROR; SILICONES;

DESCRIPTORS; J VALUE; MAXIMUM STEADY-STATE FLUX; MOLECULAR DESCRIPTORS; PERMEABILITY; POLYDIMETHYLSILOXANE MEMBRANE; QSAR; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; STEADY STATE FLUXES; SURFACE AREA;

HEURISTIC METHODS;

DIMETICONE; PROTON;

ARTICLE; ARTIFICIAL MEMBRANE; CALCULATION; COMPUTER PROGRAM; CORRELATION COEFFICIENT; DRUG PENETRATION; DRUG STRUCTURE; GRAVITY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; STEADY STATE; SURFACE PROPERTY; VALIDATION STUDY;

EID: 33750346908     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200510219     Document Type: Article

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