Keywords: Fragrance; Carbowax 20M column; QSPR theory; Dragon software; Replacement method; k-Means cluster analysis;
مقالات ISI (ترجمه نشده)
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QSPR studies on refractive indices of structurally heterogeneous polymers
Keywords: QSPR theory; Polymer; Refractive index; Graph theory; Monte Carlo method; CORAL software
QSPR analysis for the retention index of flavors and fragrances on a OV-101 column
Keywords: Flavors and fragrances; OV-101 column; QSPR theory; Dragon software, Replacement method; k-Means cluster analysis, Total-order ranking,; DART
Prediction of drug intestinal absorption by new linear and non-linear QSPR
Keywords: QSPR theory; Molecular descriptors; Replacement method; Drug intestinal absorption; Model's applicability domain; ADME properties;
QSPR analyses for aminograms in food: Citrus juices and concentrates
Keywords: QSPR theory; Amino acids; Citrus juices and concentrates; Navel and Valencia oranges; Eureka lemon; Aminograms; Multi-variable linear regression; Replacement method;
QSPR study of the Henry's Law constant for hydrocarbons
Keywords: QSPR theory; Molecular descriptors; Multivariable regression analysis; Henry's Law constant; Replacement method;
New QSPR study for the prediction of aqueous solubility of drug-like compounds
Keywords: QSPR theory; Aqueous solubility; DRAGON molecular descriptors; Replacement method variable subset selection; Group contribution method
Application of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients
Keywords: QSPR theory; Organic pesticide; KOC; Genetic algorithms; Replacement method
QSPR analysis of fluorophilicity for organic compounds
Keywords: QSPR theory; Molecular descriptors; Replacement method; Fluorophilicity
Application of descriptors based on Lipinski's rules in the QSPR study of aqueous solubilities
Keywords: QSPR theory; Molecular descriptors; Replacement method; Aqueous solubility;
QSPR prediction of the Dubinin–Radushkevich's k parameter for the adsorption of organic vapors on BPL carbon
Keywords: QSPR theory; Physical adsorption; Isotherm; Carbon adsorbent; Modeling
A theoretical study of a family of new quinoxaline derivatives
Keywords: Quinoxalines; Hybrid density functional theory; Harmonic vibrational frequencies; 1H chemical shifts; QSPR Theory; Multiple regression analysis