计算机辅助合成设计  

Computer-Aided Design of Synthesis

作　　者：姚建华[1] 袁身刚[1] 王利莎[1] 

机构地区：[1]中国科学院上海有机化学研究所

出　　处：《科学》2001年第4期16-19,共4页Science

摘　　要：在实验室或工厂大规模生产具有特定结构的化合物,是人类战胜自然的非凡创造力的一种有力表现。一个复杂化合物的合成,往往要经过几十步的反应。It is usually not straightforward even for an experienced chemist to find out the synthesis pathway of a new compound.Thanks to the development of computer technology and the mature of artificial intelligence,more and more chemists hope they can solve the synthesis design problem,which is believed to be one of the most difficult problems.With the help of computer in more logic and rational way,chemists can alleviate the dependence upon the experience and intuition.This paper introduces the state-of-the-art in this field.

关 键 词：计算机辅助合成设计 化学合成 有机合成 

分 类 号：O6-1[理学—化学]