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Letters in Drug Design & Discovery


ISSN (Print): 1570-1808
ISSN (Online): 1875-628X

QSAR Study on Cytotoxic Activities of a Series of HEPT Analogues&#

Author(s): Vijay K. Agrawal, Jyoti Singh, K. C. Mishra and Padmakar V. Khadikar

Volume 3 , Issue 2 , 2006

Page: [129 - 137] Pages: 9

DOI: 10.2174/157018006775789775

Price: $65


The cytotoxic activities of a series of HEPT analogues were modeled using 1x, Vw, Xeq along with indicator parameters. Based on the dominance of electro-negativity the data set of 59 compounds has to be divided into two subsets consisting of 48 and 11 compounds respectively. The latter subset was dominated by electronegativity effect (Xeq). Excellent results are obtained in multi-parametric regressions and are discussed critically.

Keywords: Cytotoxic activity, HEPT, van der Waals volume, equalized electro-negativity, molecular connectivity, regression analysis

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