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Chemistry & Chemical Technology
Article . 2009 . Peer-reviewed
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QSPR Analysis of Peroxidase Substrates Reactivity

Authors: Romanovskaya, Irina; Kuz’min, Victor; Oseychuk, Olga; Muratov, Eugeniy; Artemenko, Anatoliy; Andronati, Sergei;

QSPR Analysis of Peroxidase Substrates Reactivity

Abstract

Quantitative structure-property relationship (QSPR) analysis of phenol derivatives reactivity in the horseradish peroxidase catalyzed oxidative reactions was carried out. The statistic models, which describe the substituted phenols reactivity (Кm-1, Vmax) quite adequately, were obtained by multiple linear regression and partial least squares (PLS) methods. The electronic parameters of molecules, their lipophylicity, molecular refraction, and form parameters were used as descriptors for molecular structure. The obtained models allow to predict the reactivity of the new phenolic substrates with satisfactory reliability.

Country
Ukraine
Keywords

computer prediction, horseradish peroxidase, QSPR аналіз, QSPR analysis, phenolic substrates, PLS, фенольні субстрати, MLR, пероксидаза хрону, комп’ютерне прогнозування

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    popularity
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    influence
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average
Green
bronze