Antioxidant Efficacy of 3-Indolyl Derivates by Complex Information Integration
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CONTRIBUTORS:
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JOURNAL:
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Clujul Medical,
79(2),
204 -
209.
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YEAR:
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2006
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PUB TYPE:
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Journal Article
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SUBJECT(S):
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chemistry - computational; chemistry - inorganic; chemistry - organic; informatics - models implementation; mathematics - modeling; medicine - informatics
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DISCIPLINE:
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Medicine
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HTTP:
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http://lori.academicdirect.org/works/?f=57
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LANGUAGE:
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Romanian
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PUB ID:
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103-435-962
(Last edited on
2007/07/06 07:55:11 GMT-6)
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SPONSOR(S):
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ABSTRACT:
The relationship between structure and antioxidant activity of eight 3-indolyl containing compounds was obtained by applying an original methodology, through complex information integration of compounds structure, by the use of Molecular Descriptors Family. The obtained models were evaluated and validated by means of correlation coefficients, cross-validation correlation coefficients, analysis of model stability, and comparison of the model with the best performing previous reported model by correlated correlation analysis. Antioxidant activity of 3-indolyl containing compounds is alike geometrical and topological and depend on the directly bonded hydrogen’s, the group electronegativity, the property potential and its inverse. Application of SAR methodology in modeling of antioxidant activity of 3-indolyl containing compounds offer exact models that allow understanding of the structure-activity relationship, an important step in discovering and characterization of new 3-indolyl compounds.
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STATISTICS
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