QSAR Model for Predicting Antioxidan Capacity of Some Polyphenolic Antioxidants
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Author
Markovic, Zoran
Jeremic, Svetlana
Filipovic, Milos
Milenkovic, Dejan
Djorovic, Jelena
Keywords
QSARantioxidant activity
VCEAC
nOHvic
thermodynamical parameters
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Show full item recordAbstract
Quantitative structure–activity relationship model (QSAR models) is useful method for predicting antioxidant capacity of a molecule based on some chemical-physics properties. In our development of QSAR model are included 21 structural similar antioxidants. It is shown that taking into account some thermodynamical and thermochemical parameters of antioxidant and chemical activity is possible to generate fair antiradical QSAR models.