引用本文:
何险峰, 周家驹. 对无环分子编码的一个新方法：CMP法[J]. 物理化学学报,
1998, 14(08): 676-681.
doi:
10.3866/PKU.WHXB19980802
Citation: He Xian-Feng, Zhou Jia-Ju. A New Method to Code Non-circle Molecules: CMP Al rithm[J]. Acta Physico-Chimica Sinica, 1998, 14(08): 676-681. doi: 10.3866/PKU.WHXB19980802
Citation: He Xian-Feng, Zhou Jia-Ju. A New Method to Code Non-circle Molecules: CMP Al rithm[J]. Acta Physico-Chimica Sinica, 1998, 14(08): 676-681. doi: 10.3866/PKU.WHXB19980802
English
A New Method to Code Non-circle Molecules: CMP Al rithm
Abstract:
By the use of ordering-tree and connectivity matrix, a new al rithm to code non-circle molecules, called connectivity matrix polynomial (CMP) al rithm, is developed. The al rithm 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
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Key words:
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Topological index
- / Connectivity matrix
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