APPLICATION OF THE MOLECULAR CONNECTIVITY INDEX ON THE HPLC CAPACITY FACTORS OF ALKYL (1 PHENYLSULFONYL) CYCLOALKANE CARBOXYLATES

doi:10.3863/j.issn.1000-2634.2006.05.021

西南石油大学学报(自然科学版) ›› 2006, Vol. 28 ›› Issue (5): 77-79.DOI: 10.3863/j.issn.1000-2634.2006.05.021

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APPLICATION OF THE MOLECULAR CONNECTIVITY INDEX ON THE HPLC CAPACITY FACTORS OF ALKYL (1 PHENYLSULFONYL) CYCLOALKANE CARBOXYLATES

YANG Wei-hua FENG Chang-jun

Xuzhou Normal University, Xuzhou Jiangsu 221116, China

Received:2005-09-26 Revised:1900-01-01 Online:2006-10-20 Published:2006-10-20
Contact: YANG Wei-hua

Abstract

Abstract: The molecular connectivity index of twenty eight alkyl (1 phenylsulfonyl) cycloalkane carboxylates is calculated with Matlab. The quantitative structure retention relationship (QSRR) studies have been performed. Through stepwise of multiple regressions, QSRR model has been established. The calculating errors of the model are similar to the experimental ones. The result of leaveone out method indicates that the model is reliable and stable with high prediction quality, such as squared correlation coefficient of LOO of 0.966 and standard deviation of 0.1537. 
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Key words: alkyl (1 phenylsulfonyl) cycloalkane carboxylate, capacity factors, molecular connectivity index, quantitative structure retention relationship, prediction

CLC Number:

YANG Wei-hua FENG Chang-jun. APPLICATION OF THE MOLECULAR CONNECTIVITY INDEX ON THE HPLC CAPACITY FACTORS OF ALKYL (1 PHENYLSULFONYL) CYCLOALKANE CARBOXYLATES[J]. 西南石油大学学报(自然科学版), 2006, 28(5): 77-79.

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APPLICATION OF THE MOLECULAR CONNECTIVITY INDEX ON THE HPLC CAPACITY FACTORS OF ALKYL (1 PHENYLSULFONYL) CYCLOALKANE CARBOXYLATES

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