Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V
Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V
复制标题
DOI：
10.1007/bf00126216
复制
发表时间：
1992-12
影响因子：
3.5
通讯作者：
G. Buchbauer;S. Winiwarter;P. Wolschann
中科院分区：
文献类型：
--
作者：
G. Buchbauer;S. Winiwarter;P. Wolschann
分子表面比较似乎是研究相同结构类型的生物活性和非活性化合物之间微小差异的一种非常合适的工具。提出了一种基于体积匹配的快速比较方法，然后估计可比较的表面点，并将其应用于一些选定的檀香气味分子。
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.