Code for chemical environment and computation of molecular similarity


Autoria(s): Yang JA; Xu L
Data(s)

1997

Resumo

A new code for chemical environment and an empirical mathematical pattern Sa(m) on computation of molecular similarity were suggested. Seven molecules which referred to as the probe compounds and the nearest neighbors of each probe structure were determined by the methods of Sa(m) and Tanimoto, The results show an intuitive notion of chemical similarity.

Identificador

http://ir.ciac.jl.cn/handle/322003/24067

http://www.irgrid.ac.cn/handle/1471x/156761

Idioma(s)

中文

Fonte

Yang JA;Xu L.Code for chemical environment and computation of molecular similarity,CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,1997,18(6):880-882

Palavras-Chave #FILES #SHAPE
Tipo

期刊论文