Conformational Calculations on Sandalwood Odour, Part XI. Molecular Similarity of Sandalwood Odour Compounds

Autor:	Gerhard Buchbauer, Peter Wolschann, Elisabeth Liedl, Alexander Hayn, Petra Weiss-Greiler
Rok vydání:	1997
Předmět:	Sandalwood Similarity (network science) biology Computational chemistry Chemistry Stereochemistry Computer aid General Chemistry Molecular surfaces biology.organism_classification Biological effect Food Science
Zdroj:	Flavour and Fragrance Journal. 12:141-146
ISSN:	1099-1026 0882-5734
DOI:	10.1002/(sici)1099-1026(199705)12:3<141::aid-ffj634>3.0.co;2-z
Popis:	The molecular surfaces of different sandalwood odour molecules have been investigated and compared with a group of structurally related substances without this odour impression to get more information about osmophoric regions. This has been done with the help of a new algorithm in a surface comparison program, which furnishes the possibility to find special parts of coincidence at the molecular surfaces. Such a procedure should be generally suitable for finding contact areas which are responsible for a biological effect. © 1997 John Wiley & Sons, Ltd.
Databáze:	OpenAIRE
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