利用红外光谱、元素分析及核磁共振等手段对优化条件下的产物进行了分子结构表征。
The molecular structure of optimum products is characterized by using infrared spectrum, NMR and ultimate analysis.
摘要：提出顶点及顶点相互作用矢量的概念，并将该矢量用于复杂样本的分子结构表征。
Abstract: the concept of vectors of vertexes and their interaction were proposed to characterize the molecular structure of complicated samples.
分子结构表征是定量构效关系研究的一个关键环节，结构描述子能否反映分子与生物活性相关的结构信息，决定了定量构效关系研究的成败。
Structural description is a key step in the QSAR studies. Whether the structural descriptors can reflect the structural variations determines the success of QSAR studies.
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