| 建立大环分子三维结构的研究 |
| |
| 引用本文： | 艾竹茗,韦钰.建立大环分子三维结构的研究[J].东南大学学报(自然科学版),1992,22(6):1-6. |
| |
| 作者姓名： | 艾竹茗 韦钰 |
| |
| 作者单位： | 东南大学分子与生物分子电子学实验室，东南大学分子与生物分子电子学实验室 |
| |
| 摘 要： |
|
| 关 键 词： | 分子结构 分子设计 大环分子 CAMD |
Study of Building 3-D Molecular Structure of Macrorings |
| |
| Ai Zhuming Wei Yu.Study of Building 3-D Molecular Structure of Macrorings[J].Journal of Southeast University(Natural Science Edition),1992,22(6):1-6. |
| |
| Authors: | Ai Zhuming Wei Yu |
| |
| Institution: | Laboratory of Molecular & Biomolecular Electronics |
| |
| Abstract: | The method for automatically building 3-D molecular structure of macrorings has been proposed in the paper. The method can build the 3-D models of macrorings full automatically with the support of a knowledge base. The restrictions of templet methods for building rings have been overcome. The results can meet the needs of computer-aided molecular design. The distance geometry and its error functions in the method have been discussed in detail. |
| |
| Keywords: | molecular structure artificial intelligence/molecular design distance geometry |
| 本文献已被 CNKI 维普 等数据库收录！ |
