Structure versus Biological Role of Substituted Thiadiazole- and Thiadiazoline- Disulfonamides
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CONTRIBUTORS:
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JOURNAL:
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Studii si Cercetari Stiintifice Universitatea Bacau Seria Biologie,
12(1),
50 -
56.
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YEAR:
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2007
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PUB TYPE:
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Journal Article
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SUBJECT(S):
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chemistry - biochemistry; engineering - agriculture; medicine - informatics
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DISCIPLINE:
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Biology
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HTTP:
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http://lori.academicdirect.org/works/?id=164
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LANGUAGE:
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English
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PUB ID:
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103-438-450
(Last edited on
2007/11/09 05:07:57 US/Mountain)
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SPONSOR(S):
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ABSTRACT:
The relationship between structure and inhibition activity on carbonic anhydrase I of a set of forty substituted 1,3,4-thiadiazole- and 1,3,4-thiadiazoline-disulfonamides has been investigated by using the Molecular Descriptors Family method. The molecular descriptors family has been generated starting with the information obtained from the compounds structure and the descriptors were calculated. The MDF SAR equations were obtained using the molecular descriptors set. Significant models with best performances in estimation were identified using squared correlation coefficient, F-parameter and its significance. The prediction abilities of two multivariate models were analyzed, and the correlation coefficients were compared with the correlation coefficients obtained by previous reported models. The results revealed that the MDF SAR is a useful approach in characterization of inhibition activity on carbonic anhydrase I of studied substituted 1,3,4-thiadiazole- and 1,3,4-thiadiazoline-disulfonamides.
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