QSPR of antioxidant phenolic compounds using quantum chemical descriptors

Molecular Simulation

Volumn 37, Issue 5, 2011, Pages 394-413

  Mitra, Indrani ^a   Saha, Achintya ^b   Roy, Kunal ^a  

^a JADAVPUR UNIVERSITY   (India)

^b UNIVERSITY OF CALCUTTA   (India)

Author keywords

antioxidants; phenolic derivatives; QSPR; QTMS

Indexed keywords

ANTIOXIDANT PROPERTIES; ANTIOXIDANTS; DELOCALISATION; EFFECTIVE INTERACTIONS; ELECTRON DENSITIES; FREE RADICAL PRODUCTIONS; INDUCTIVE EFFECTS; INTERPRETABILITY; LONE PAIR; PHENOLIC ANTIOXIDANT; PHENOLIC COMPOUNDS; PHENOLIC DERIVATIVE; PHENOLIC OXYGEN; POTENT ANTIOXIDANTS; PREDICTIVE POWER; QSPR; QTMS; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; QUANTUM CHEMICAL DESCRIPTORS; QUANTUM TOPOLOGICAL MOLECULAR SIMILARITIES; TEST SETS; TRAINING SETS;

CHEMICAL COMPOUNDS; DIELECTRIC MATERIALS; FREE RADICALS; MOLECULES; OXYGEN; QUANTUM CHEMISTRY;

PHENOLS;

EID: 79957589813     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2010.543980     Document Type: Article

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