QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights of local graph invariants

Molecular Diversity

Volumn 8, Issue 4, 2004, Pages 325-330

  Duchowicz, P R ^a   Castro, E A ^a   Toropov, A A ^b   Nesterov, I V ^b   Nabiev, O M ^b  

^a UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

^b S YU YUNUSOV INSTITUTE OF THE CHEMISTRY OF PLANT SUBSTANCES   (Uzbekistan)

Author keywords

optimization of correlation weights of local graph invariants; QSPR; water solubility of alcohols

Indexed keywords

ALCOHOL DERIVATIVE;

AQUEOUS SOLUTION; ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; MONTE CARLO METHOD; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; SOLUBILITY; STATISTICAL ANALYSIS; VALIDATION PROCESS; WEIGHT;

ALCOHOLS; ALGORITHMS; CHEMISTRY, PHYSICAL; LEAST-SQUARES ANALYSIS; MODELS, STATISTICAL; MODELS, THEORETICAL; MONTE CARLO METHOD; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOLUBILITY; SOLVENTS; WATER;

EID: 8544232743     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:MODI.0000047498.49219.ab     Document Type: Article

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