The quantitative structure-activity relationship (QSAR) models were developed for the toxicity by using the molecularconnectivity 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。
2
This indices were derived from the substitution of the atom valence of vertex by atom radius in the calculations of the molecularconnectivity 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。
3
This article has presented a modified molecularconnectivity indices used in the QSARs research of the aqueous solubilities of heterocyclic nitrogen compounds.