南京化工大学学报(自然科学版)2001，Vol.23Issue(2)：28-31,4.
新的价连接性指数mX用于有机化合物的QSAR
NOVEL CONNECTIVITY INDEX FOR QSAR STUDY OF ORGANIC COMPOUNDS
摘要
Abstract
The molecular connectivity indexes (mX, mX′) were used for studying the quantitaive structure-activity relationship of some organic compounds. It is found that mX and mX′ are highly correlated with toxicity, hydrophobicity of the organic compounds such as halogeno-benzene and nitrobenzene. The results show that all the ocrrelation coefficients are larger than 0.92. It has been demonstrated that the method possesses the advantage. It has been demonstrate that the method is easy to compute, clear in physical meaning and convenient in applications.关键词
原子结构参数/价连接性指数/取代芳烃/定量结构-活性相关性分类
化学化工引用本文复制引用
堵锡华,冯长君..新的价连接性指数mX用于有机化合物的QSAR[J].南京化工大学学报(自然科学版),2001,23(2):28-31,4.
