QSAR/QSPR (Quantitive-Structure Activities Relationship/ Quantitive-Structure Properties Relationship) study has been effectively used to screen and evaluate large classes of chemicals’activities and properties. It can evaluate and predict the chemicals’fatalness in the lack of experimental data. The important thing to the study is the establish of the model, which is composed by several descriptors and gives the prediction. The descriptors descript the structural information of the molecules i...
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