In chapter 3, Quantitative structure-property relationship ( QSPR ) models correlating half-wave potentials ( E1 / 2 ) of dye intermediate 9, 10-anthraquinones and their structures were developed based on linear and non-linear modeling methods. 在第三章中,基于所建立的线性和非线性模型,研究了染料中间体9,10-蒽醌的半波电位(E1/2)和其结构之间的定量构效关系。
For the intermediate and deep aquifer, the boundaries in the sea are hard to be determined. In the flow modeling, equivalent boundaries are used, but noticeable defects will occur in solute transport model. 在数值模型的建立过程中,中、深层侧向边界在海域中的位置难以确定,对于水流模型,可以采用等效边界,但溶质运移模型,等效边界就存在明显不足。
Residues in protein sequences can be classified into two ( exposed / buried ) or three ( exposed / intermediate / buried ) states according to their relative solvent accessibility. Markov chain model ( MCM ) had been adopted for statistical modeling and prediction. 利用Markov链模型对蛋白质可溶性特性进行统计建模,按照蛋白质序列中残基的相对可溶性,将其分为两类(表面/内部)和三类(表面/中间/内部)进行预测。