Predicting Anti cancer activity of Marine Pyridoacridine alkaloids â Computation approach using Topological indices
J. Senbagamalar, Jayapal Baskar Babujee, Ramadoss Girija · Journal of computational methods in molecular design · 2015
A topological index is a numeric quantity that is m athematically derived in a direct and unambiguous m anner from the structural graph of a molecule. Topological ind ices contain valuable structural information as evi denced by the success of their widespread application in QSAR and QSPR studies. In this paper we study the relations hip of Wiener Index, First and second Zagreb indices for t he anti cancer activity of some marine pyridoacridi ne alkaloids. The values of all the three indices for each of the 60 analogs comprising the dataset were computed, a nd it is compared with the biological activity of the report ed anticancer activity. Accuracy of prediction is f ound to be approximately 95% based upon Wiener, First and Seco nd Zagreb topological indices.