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.