Use of Physicochemical and Topological Parameters in Estimating Anti-Cancer Activity of Benzothiazole Derivatives

Deepali      Gupta; Basheerulla      Shaik; Jyoti      Singh; Neelu      Singh; Vijay      K. Agrawal

Abstract

Several physicochemical and topological descriptors used for estimating anti-cancer activity of benzothiazole derivatives indicated that the use of physicochemical parameters alone yield most appropriate model for modeling the activity.

Keywords: Anticancer, Benzothiazole derivatives, Cross-validation, Multiple linear regression, QSAR, DRAGON softwares, Topological Parameters, Physicochemical, NCSS software, Balaban, Molar volume, Molar refractivity, Index of Refraction, Surface tension, Polarizabilty

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Letters in Drug Design & Discovery

Title: Use of Physicochemical and Topological Parameters in Estimating Anti-Cancer Activity of Benzothiazole Derivatives

Volume: 8 Issue: 9

Author(s): Deepali Gupta, Basheerulla Shaik, Jyoti Singh, Neelu Singh and Vijay K. Agrawal

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Abstract: Several physicochemical and topological descriptors used for estimating anti-cancer activity of benzothiazole derivatives indicated that the use of physicochemical parameters alone yield most appropriate model for modeling the activity.

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Gupta Deepali, Shaik Basheerulla, Singh Jyoti, Singh Neelu and K. Agrawal Vijay, Use of Physicochemical and Topological Parameters in Estimating Anti-Cancer Activity of Benzothiazole Derivatives, Letters in Drug Design & Discovery 2011; 8 (9) . https://dx.doi.org/10.2174/157018011797200759