摘要
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.
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.
出处
《应用化学》
CAS
CSCD
北大核心
1999年第5期94-96,共3页
Chinese Journal of Applied Chemistry
基金
国家自然科学基金
关键词
距离边数矢量
化学环境编码算法
分子相似度计算
distanice edge vector,chemical environment code,molecular similarity computation
