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Predicting Anti cancer activity of Marine Pyridoacridine alkaloids Ã?¢Ã?â?¬Ã?â?? Computation approach using Topological indices | Abstract
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Journal of Computational Methods in Molecular Design

Abstract

Predicting Anti cancer activity of Marine Pyridoacridine alkaloids Ã?¢Ã?â?¬Ã?â?? Computation approach using Topological indices

Author(s): Jaishankar Senbagamalar, Jayapal Baskar Babujee and Ramadoss Girija

A topological index is a numeric quantity that is mathematically derived in a direct and unambiguous manner from the structural graph of a molecule. Topological indices contain valuable structural information as evidenced by the success of their widespread application in QSAR and QSPR studies. In this paper we study the relationship of Wiener Index, First and second Zagreb indices for the anti cancer activity of some marine pyridoacridine alkaloids. The values of all the three indices for each of the 60 analogs comprising the dataset were computed, and it is compared with the biological activity of the reported anticancer activity. Accuracy of prediction is found to be approximately 95% based upon Wiener, First and Second Zagreb topological indices.