Shin-ya Takane

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Structure-odour relationship analyses using hierarchical clustering were carried out on a diverse dataset of 47 molecules. These molecules were divided into seven odour categories: ambergris, bitter almond, camphoraceous, rose, jasmine, muguet, and musk. The alignment-independent descriptor EVA (EigenVAlue) was used as the molecular descriptor. The results(More)
A series of silver(I) β-ketocarboxylates were prepared by reaction of β-ketocarboxylic acids with silver nitrate in the presence of diethanolamine. The silver(I) β-ketocarboxylates decomposed over a narrow temperature range to form metallic silver, CO2, and the corresponding ketones. In addition, products derived from radical intermediates were detected by(More)
In the field of materials sciences, it is often needed to convert a compound name into corresponding molecular equations, 2D or 3D molecular structures. We present a concept and a prototype implementation of the input method engine that can convert various compound names (given as an IUPAC name) into corresponding molecular equations by using Java and the(More)
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