Surface comparisons of some odour molecules: conformational calculations on sandalwood odour V.
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.
Buchbauer
G
G
Institut für Pharmazeutische Chemie, Universität Wien, Austria.
Winiwarter
S
S
Wolschann
P
P
D006801:Humans; D008968:Molecular Conformation; D015394:Molecular Structure; D009812:Odorants; D012903:Smell; D012984:Software; D012985:Software Design; D013499:Surface Properties; D014934:Wood