Acta Phys. -Chim. Sin. ›› 1998, Vol. 14 ›› Issue (08): 676-681.doi: 10.3866/PKU.WHXB19980802
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He Xian-Feng, Zhou Jia-Ju
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Abstract:
By the use of ordering-tree and connectivity matrix, a new algorithm to code non-circle molecules, called connectivity matrix polynomial (CMP) algorithm, is developed. The algorithm can not only differentiate asymmetrical atoms. but also make the two-direction mapping between codes and non-circle molecular structures. That is, from the molecular structure, a unique code can be obtained, and from the unique code, the specific molecular structure can be derived
Key words: Topological index, Connectivity matrix
He Xian-Feng, Zhou Jia-Ju. A New Method to Code Non-circle Molecules: CMP Algorithm[J].Acta Phys. -Chim. Sin., 1998, 14(08): 676-681.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB19980802
http://www.whxb.pku.edu.cn/EN/Y1998/V14/I08/676
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