摘要
分子连接性方法的基本思路是欲从各种角度和层次上充分揭示化合物在分子结构和化学键方面的诸多差异 ,并将其表示成数码形式 ,然后再利用这些数码去推算各种化合物的物理性质、化学性质和生物活性 ,研究分子结构与各种理化性质和生物活性的定量关系。本文以研究分子连接指数与各种烷基取代的苯并咪唑分子的抗病毒活性的关系为例 。
We attempt to sufficiently reveal the various differences in the molecular structure and chemical bond from each angle and level by the method of molecular connectivity,and express them as a numerical form to utilize the numerical form to calculate the physical properties, chemical properties and biological activity in every compound,and study the quantitative relation between the molecular structure and various physico-chemical properties and biological activity. This paper takes the study of relation between the molecular connection indexes and the antivirus activities of several alkyl-substituted enzimidazoles as an example, showing that it is successful to forecast physico-chemical properties and biological activity by utilizing the method of molecular connectivity.
出处
《黑龙江医药科学》
2004年第5期7-8,共2页
Heilongjiang Medicine and Pharmacy
