基于质谱数据库的嗅觉显示气味成分选择方法

T. Nakamoto, Keisuke Murakami
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引用次数: 18

摘要

通过使用嗅觉显示器混合多种气味成分可以实现各种气味。由于一组气味成分覆盖整个气味范围尚不清楚,我们研究了一种使用大规模质谱数据库选择气味成分的方法。采用非负矩阵分解(NMF)方法提取气味成分对应的基向量。然后,利用非负最小二乘法得到目标气味的配方。在可容忍的误差范围内,成功地从10,000个化合物中获得了基载体。由322种化合物组成的104种气味的质谱可以用32 ~ 50个基向量进行近似。
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Selection Method of Odor Components for Olfactory Display Using Mass Spectrum Database
A variety of smells can be realized by blending multiple odor components using an olfactory display. Since a set of odor components to cover the entire range of smells has not yet been known, we studied a method of selecting odor components using a large-scale mass spectrum database. Basis vectors corresponding to odor components were extracted by the NMF (nonnegative matrix factorization) method. Then, the recipe of the target odor was obtained using the nonnegative least-squares method. The basis vectors were successfully obtained from 10,000 compounds within a tolerable error. Moreover, the mass spectra of 104 odors composed of 322 compounds could be approximated using 32-50 basis vectors.
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