There are several classes of anticancer drugs, among which our study focuses on alkylating agents. As a chemical graph invariant number, topological index, has crucial role in predicting the physical, chemical, biological and toxicity properties of a molecule. Different versions of Zagreb indices correlate well with various physio-chemical properties of a molecule. We are analysing physio-chemical properties of the class of alkylating agents using various Zagreb indices. In this paper we are able to predict the physico-chemical properties of a molecule which is not yet discovered using the Zagreb class.
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