节点文献
距离边数矢量与分子相似度的计算
Atom Distance Edge Vector、Code for Chemical Environment and Computation of Molecular Similarity
【Abstract】 A methematical pattern on computation of molecular simularity is proposed and used to compute the molecular simularity of three organic hetero compounds. The results are relatively identical with those obtained from codes for chemical environment.
【关键词】 距离边数矢量;
化学环境编码算法;
分子相似度计算;
【Key words】 distanice edge vector; chemical environment code; molecular similarity computation;
【Key words】 distanice edge vector; chemical environment code; molecular similarity computation;
【基金】 国家自然科学基金
- 【文献出处】 应用化学 ,CHINESE JOURNAL OF APPLIED CHEMISTRY , 编辑部邮箱 ,1999年05期
- 【分类号】O641
- 【下载频次】56