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Citation: Yang Jiaan, Xu Lu. Atom Distance-Edge Vector、Code for Chemical Environment and Computation of Molecular Similarity[J]. Chinese Journal of Applied Chemistry, ;1999, 16(5): 94-96. shu

Atom Distance-Edge Vector、Code for Chemical Environment and Computation of Molecular Similarity

Yang Jiaan ,
Xu Lu

1.
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022

Received Date: 26 January 1999
Available Online: 19 May 1999
Fund Project: 国家自然科学基金资助项目(29677016) (29677016)

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.
- distanice edge vector,
- chemical environment code,
- molecular similarity computation
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