摘要
介绍了ＬＣＣ近年来进行计算机辅助药物分子设计所建立的新方法。通过应用这些方法，同药物开发与合成者开展了一系列的合作研究，取得一些可喜的进展，并探索出一条计算机辅助药物分子设计，及开发新先导化合物合理的、可行的、高效的途径。
The methods used for drug molecular design and their applications in the Laboratory of Computer Chemistry were reviewed in the Paper. The. collaboration between our laboratory and many other agricultural chemical or pharmaceutical developers was very successful and many good results were got. Through year's research, we find an effective way to design drug molecules, and develop high bio-active compounds and new lead compounds.
出处
《计算机与应用化学》
CAS
CSCD
1996年第1期1-6,共6页
Computers and Applied Chemistry
基金
国家自然科学基金
关键词
药物分子设计
构效关系
农药
医药
Drug molecular design, Structure-activity relationship. Agricultural chemicals and pharmaceuticals, Lead compounds
