Surface comparisons of some odour molecules: conformational calculations on sandalwood odour V.

作者: Gerhard Buchbauer , Susanne Winiwarter , Peter Wolschann

DOI: 10.1007/BF00126216

关键词:

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

参考文章(19)
Armin Becker, Gerhard Buchbauer, Susanne Winiwarter, Peter Wolschann, A rapid method for molecular shape comparison of medium-sized molecules. Conformational calculations on sandalwood odor, IV Monatshefte Fur Chemie. ,vol. 123, pp. 405- 416 ,(1992) , 10.1007/BF00817596
P L Chau, P M Dean, Molecular recognition: 3d surface structure comparison by gnomonic Journal of Molecular Graphics. ,vol. 5, pp. 97- 100 ,(1987) , 10.1016/0263-7855(87)80007-3
David S. Goodsell, RMS: programs for generating raster molecular surfaces Journal of Molecular Graphics. ,vol. 6, pp. 41- 44 ,(1988) , 10.1016/0263-7855(88)80060-2
Wayne I. Fanta, William F. Erman, Synthesis of (+-)-dihydro-.beta.-santalol Journal of Organic Chemistry. ,vol. 37, pp. 1624- 1630 ,(1972) , 10.1021/JO00975A036