| 有机化学结构的线型表示 |
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| 引用本文： | 吴家榕 张经江. 有机化学结构的线型表示[J]. 计算机与应用化学, 1995, 12(1): 25-28 |
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| 作者姓名： | 吴家榕 张经江 |
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| 作者单位： | 西安近代化学研究所 |
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| 摘 要： | 本线型表示法以官能团为基本单元，根据ＩＵＰＡＣ有机化学命名原则及专家系统对表示法的要求，制定了比较简单的定序法则，本方法已应用于我所的专家系统ＥＳＣＳ中。
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| 关 键 词： | 线型表示 有机化合物 命名 结构 ESCS |
LINEAR NOTATION OF CHEMICAL STRUCTURE |
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| Wu Jiarong, Zhang Jingjiang, Zhao Jie, Zhang hong. LINEAR NOTATION OF CHEMICAL STRUCTURE[J]. Computers and Applied Chemistry, 1995, 12(1): 25-28 |
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| Authors: | Wu Jiarong Zhang Jingjiang Zhao Jie Zhang hong |
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| Affiliation: | Xi'an Modern Chemistry Research Institute Xi'an 710061 |
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| Abstract: | A linear notation for chemical structure is presented in this paper. The functional groups are taken as the basic units in this linear notation. A simple order rule is designed to fit the requirements of expert system, which is according to the IUPAC naming principle for organic chemicals. This linear notation is applied in an expert system for computer-aided chemical synthesis. |
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| Keywords: | Linear notation Organic chemistry |
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