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In this book, we main present the recent theoretical results in chemical computing. The whole contexts can be divided into six parts: first, we determine the reciprocal degree distance of circumcoronene; then, weighted indices and two classes of generalized degree distance are discussed; the third, we obtain the Zagreb polynomial of polyomino chains; the fourth, the vertex-weighted wiener number of circumcoronene are calculated; the fifth, PI polynomial and vertex PI polynomial of certain special molecular graphs are studied; at last, we present notes on generalized atom-bond connectivity index.