Direct and indirect quantum mechanical QSPR hildebrand solubility parameter models

QSAR and Combinatorial Science

Volumn 27, Issue 7, 2008, Pages 841-849

  Code, James E ^a   Holder, Andrew J ^a   Eick, J David ^b  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b UNIVERSITY OF MISSOURI KANSAS CITY SCHOOL OF DENTISTRY   (United States)

Author keywords

AM1; Enthalpy of vaporization; Miscibility; QSPR; Semiempirical; Solubility parameter

Indexed keywords

ENTHALPY; FORECASTING; GROUND STATE; LINEAR REGRESSION; MEAN SQUARE ERROR; POLYMER BLENDS; QUANTUM THEORY; VAPORIZATION;

AM1; DESCRIPTORS; ENTHALPY OF VAPORIZATION; HILDEBRAND'S SOLUBILITY PARAMETERS; PARAMETER MODEL; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; QUANTUM MECHANICAL; ROOT MEAN SQUARE ERRORS; SEMI-EMPIRICAL; SOLUBILITY PARAMETERS;

SOLUBILITY;

ACCURACY; ARTICLE; CHEMICAL STRUCTURE; ENTHALPY; MISCIBILITY; MOLECULAR MODEL; MULTIPLE LINEAR REGRESSION ANALYSIS; PHYSICAL CHEMISTRY; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; QUANTUM MECHANICS; SOLUBILITY; VAPORIZATION;

EID: 54949089226     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200710158     Document Type: Article

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