A new method to code non-circle molecules: CMP algorithm
文献类型：期刊论文
| 作者 | He, XF; Zhou, JJ |
| 刊名 | ACTA PHYSICO-CHIMICA SINICA
 |
| 出版日期 | 1998-08-01 |
| 卷号 | 14期号:8页码:676-681 |
| 关键词 | topological index connectivity matrix |
| ISSN号 | 1000-6818 |
| 其他题名 | Acta Phys.-Chim. Sin. |
| 中文摘要 | 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 carl be obtained, and fi om the unique code, the specific molecular structure can be derived. |
| 英文摘要 | 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 carl be obtained, and fi om the unique code, the specific molecular structure can be derived. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000075809200002 |
| 公开日期 | 2013-11-15 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/6001]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | Chinese Acad Sci, Inst Chem Met, Lab Comp Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | He, XF,Zhou, JJ. A new method to code non-circle molecules: CMP algorithm[J]. ACTA PHYSICO-CHIMICA SINICA,1998,14(8):676-681. |
| APA | He, XF,&Zhou, JJ.(1998).A new method to code non-circle molecules: CMP algorithm.ACTA PHYSICO-CHIMICA SINICA,14(8),676-681. |
| MLA | He, XF,et al."A new method to code non-circle molecules: CMP algorithm".ACTA PHYSICO-CHIMICA SINICA 14.8(1998):676-681. |
入库方式： OAI收割
来源：过程工程研究所
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