光谱的统计理论:统计矩作为分子相似性理论中的描述符
Statistical theory of spectra: Statistical moments as descriptors in the theory of molecular similarity
摘要:
强度分布的统计矩被用作分子描述符。它们被用作定义两个模型光谱之间的相似距离的基础。定义了携带来自光谱形状比较的信息并且与考虑的属性的数量有关的参数。
英文摘要:
Statistical moments of the intensity distributions are used as molecular descriptors. They are used as a basis for defining similarity distances between two model spectra. Parameters which carry the information derived from the comparison of shapes of the spectra and are related to the number of properties taken into account, are defined.
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