Prediction of 13C chemical shifts in methoxyflavonol derivatives using MIA-QSPR

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 74, Issue 2, 2009, Pages 563-568

  Goodarzi, Mohammad ^a   Freitas, Matheus P ^b   Ramalho, Teodorico C ^b  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

Author keywords

13C chemical shifts; GIAO; Methoxyflavonol derivatives; MIA QSPR

Indexed keywords

2D IMAGES; 13C CHEMICAL SHIFTS; ATOMIC ORBITAL; CHEMICAL STRUCTURE; DEPENDENT VARIABLES; DESCRIPTORS; EXPERIMENTAL DATA; FUSED RING; GIAO; METHOXYFLAVONOL DERIVATIVES; MIA-QSPR; MULTIVARIATE IMAGE ANALYSIS; PARTIAL LEAST-SQUARES REGRESSION; PREDICTIVE ABILITIES; PREDICTIVE MODELS; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; STRUCTURE-BASED;

IMAGE ANALYSIS; MULTIVARIANT ANALYSIS; PIXELS; SULFUR COMPOUNDS;

CHEMICAL SHIFT;

FLAVONOL DERIVATIVE;

ARTICLE; METHODOLOGY; MULTIVARIATE ANALYSIS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; REGRESSION ANALYSIS;

FLAVONOLS; LEAST-SQUARES ANALYSIS; MAGNETIC RESONANCE SPECTROSCOPY; MULTIVARIATE ANALYSIS;

EID: 69249209721     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.07.003     Document Type: Article

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