Structure-odour relationships: results of an applied electron-topological approach.
Relationships between odour and chemical structure of compounds are studied by means of the electron-topological method developed for structure/activity research especially. A brief explanation is given for distinguished features of the method. Application examples are demonstrated for sandalwood, ambergris odour, garlic aroma and meat keynotes in food additives. The structural fragments affecting the odour appearance are revealed and discussed with respect to their electronic and topological peculiarities. The latter are formulated as rules for activity prediction of new compounds with special properties.
Shvets
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NM
Institute of Mathematics, Academy of Sciences of Moldova, Kishinev, Moldova.
Dimoglo
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AS
D004583:Electrons; D005504:Food Analysis; D008956:Models, Chemical; D008958:Models, Molecular; D015394:Molecular Structure; D009812:Odorants / Q000032:analysis*; D013329:Structure-Activity Relationship