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

โœ Scribed by Gerhard Buchbauer; Alexander Hayn; Elisabeth Liedl; Petra Weiss-Greiler; Peter Wolschann

Publisher
John Wiley and Sons
Year
1997
Tongue
English
Weight
195 KB
Volume
12
Category
Article
ISSN
0882-5734

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โœฆ Synopsis

The molecular surfaces of dierent 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 ยฎnd special parts of coincidence at the molecular surfaces. Such a procedure should be generally suitable for ยฎnding contact areas which are responsible for a biological eect.

๐Ÿ“œ SIMILAR VOLUMES

Investigations of the Molecular Surface
Investigations of the Molecular Surface of a Few Sandalwood-Odor Molecules and Related Structures: Conformational calculations on sandalwood odorants. VI
โœ Gerhard Buchbauer; Karin Leonhardsberger; Susanne Winiwarter; Peter Wolschann ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ German โš– 727 KB

## Abstract The calculated molecular surfaces for some Sandalwoodโ€odor molecules and structurally similar inactive compounds were compared with the calculated mean surface obtained from five Sandalwood odorants included in the set, and their individual agreement and deviations were estimated. Espec