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Surface comparisons of some odour molecules: conformational calculations on sandalwood odour V
G Buchbauer1, S Winiwarter, P Wolschann
1Institut für Pharmazeutische Chemie, Universität Wien, Austria.
Journal of Computer-Aided Molecular Design
|December 1, 1992
Abstract:
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.