In silico development, validation and comparison of predictive QSAR models for lipid peroxidation inhibitory activity of cinnamic acid and caffeic acid derivatives using multiple chemometric and cheminformatics tools

Journal of Molecular Modeling

Volumn 18, Issue 8, 2012, Pages 3951-3967

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

^a JADAVPUR UNIVERSITY   (India)

^b UNIVERSITY OF CALCUTTA   (India)

Author keywords

Antioxidant; GFA; HQSAR; Pharmacophore; QSAR

Indexed keywords

AMIDE; CAFFEIC ACID DERIVATIVE; CINNAMIC ACID; KETONE; OXYGEN; PHENYL GROUP;

ANTIOXIDANT ACTIVITY; ARTICLE; CHEMOMETRICS; COMPUTER MODEL; LIPID PEROXIDATION; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY;

ALGORITHMS; ANTIOXIDANTS; CAFFEIC ACIDS; CINNAMATES; COMPUTER SIMULATION; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIPID PEROXIDATION; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SURFACE PROPERTIES;

EID: 84864655072     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1392-5     Document Type: Article

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