An application of the QM-QSAR method to predict and rationalize lipophilicity of simple monomers

Dental Materials

Volumn 21, Issue 7, 2005, Pages 591-598

  Holder, Andrew J ^a   Ye, Lin ^a   Yourtee, David M ^a   Agarwal, Anjali ^a   Eick, J David ^a   Chappelow, Cecil C ^b  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b MIDWEST RESEARCH INSTITUTE   (United States)

Author keywords

AM1; Dental restorative; Lipophilicity; log Po w; QSAR

Indexed keywords

DATABASE SYSTEMS; DENTAL MATERIALS; MATHEMATICAL MODELS; MONOMERS; POLYMERIZATION; SOLUBILITY; SYNTHESIS (CHEMICAL);

INTRAMOLECULAR INTERACTIONS; QUALITY INDICATORS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP (QSAR); WATER PARTITION COEFFICIENTS;

QUANTUM THEORY;

BIOMEDICAL AND DENTAL MATERIALS; LIPID; OCTANOL;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; FACTUAL DATABASE; MATERIALS TESTING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM THEORY; SOLUBILITY; VALIDATION STUDY;

DATABASES, FACTUAL; DENTAL MATERIALS; LIPIDS; MATERIALS TESTING; MODELS, CHEMICAL; MOLECULAR STRUCTURE; OCTANOLS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUANTUM THEORY; SOLUBILITY;

EID: 20444480529     PISSN: 01095641     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.dental.2004.08.004     Document Type: Article

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