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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)
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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