Estimation of aqueous solubility of organic compounds with QSPR approach

Pharmaceutical Research

Volumn 19, Issue 4, 2002, Pages 497-503

  Gao, Hua ^a   Shanmugasundaram, Veerabahu ^a   Lee, Pil ^a  

^a Pharmacia ^*  (United States)

Author keywords

AquaSol database; Diversity; Genetic algorithm; Principal component regression; Solubility

Indexed keywords

AQUEOUS SOLUTION; ARTICLE; CORRELATION COEFFICIENT; GENETIC ALGORITHM; MOLECULAR MODEL; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; SOLUBILITY; VALIDATION PROCESS;

ALGORITHMS; MODELS, CHEMICAL; NEURAL NETWORKS (COMPUTER); ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; SOLUBILITY; WATER;

EID: 0036115689     PISSN: 07248741     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1015103914543     Document Type: Article

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