The quantitative structure-activity relationship (QSAR) models were developed for the toxicity by using the molecular connectivity index method.
选用分子连接性指数法对毒性数据进行定量结构活性关系(QSAR)研究。
This indices were derived from the substitution of the atom valence of vertex by atom radius in the calculations of the molecular connectivity indices.
这种修正的分子连接性指数是由原子半径取代原子的点价计算得来。
This article has presented a modified molecular connectivity indices used in the QSARs research of the aqueous solubilities of heterocyclic nitrogen compounds.
本文采用一种修正的分子连接性指数研究了氮杂环类化合物水溶解度的定量结构性质关系。
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