Quantitative structure - Retention Relationship study of a variety of compounds in Reversed-Phase Liquid Chromatography: A PLS-MLR-STANN approach

QSAR and Combinatorial Science

Volumn 27, Issue 2, 2008, Pages 137-146

  Jalali Heravi, M ^a   Garkani Nejad, Z ^b   Kyani, A ^a  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

^b VALI E ASR UNIVERSITY OF RAFSANJAN   (Iran)

Author keywords

Artificial neural networks; Chemometrics; Multiple linear regressions; Partial least squares; Reversed phase liquid chromatography

Indexed keywords

GAS CHROMATOGRAPHY; LEAST SQUARES APPROXIMATIONS; LIQUID CHROMATOGRAPHY; MOLECULAR ORBITALS; NEURAL NETWORKS; VAN DER WAALS FORCES;

CHEMOMETRICES; DESCRIPTORS; HIGHEST OCCUPIED MOLECULAR ORBITAL; MULTIPLE LINEAR REGRESSIONS; PARTIAL CHARGES; PARTIAL LEAST-SQUARES; QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIP; RETENTION BEHAVIOR; REVERSED PHASE LIQUID-CHROMATOGRAPHY; REVERSED-PHASE LIQUID CHROMATOGRAPHY;

MULTIPLE LINEAR REGRESSION;

ALIPHATIC COMPOUND; AROMATIC COMPOUND; HYDROGEN; SILANOL;

ACIDITY; ANALYTICAL ERROR; ANALYTICAL PARAMETERS; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL BOND; COLUMN CHROMATOGRAPHY; CONTROLLED STUDY; CORRELATION COEFFICIENT; DIPOLE; ELECTRICITY; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR WEIGHT; MULTIPLE LINEAR REGRESSION ANALYSIS; NONLINEAR SYSTEM; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; REVERSED PHASE LIQUID CHROMATOGRAPHY; SOLUTE;

EID: 54949120999     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200510205     Document Type: Article

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