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Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V

✍ Scribed by Gerhard Buchbauer; Susanne Winiwarter; Peter Wolschann

Publisher: Springer Netherlands
Year: 1992
Tongue: English
Weight: 707 KB
Volume: 6
Category: Article
ISSN: 0920-654X
DOI: 10.1007/bf00126216

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✦ Synopsis

Molecular surface comparison seems to be a very suitable tool for the investigation of small differences between biologically active and inactive compounds of the same structural type. A fast method for such comparisons, based on volume matching followed by the estimation of comparable surface dots, is presented and applied on a few selected sandalwood odour molecules.

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