日本一家医药分子设计研究所最近开发了在计算机上设计超前药物的新系统。其最大的特点是利用被称为“组合化学”的药物开发最新技术,与计算机分子设计技术结合起来。该新系统是由在计算机上制作假想化合物的软件,和从立体型分子结构计算出其药效大小的软件构成,采用计算机工作站运行。目前在计算机上运算的时间稍长,但有可能合成上百万个假想结构。 A pharmaceutical molecular design institute in Japan recently developed a new system for designing advanced drugs on computers. Its greatest feature is the use of what is known as “combinatorial chemistry” to develop the latest technology, combined with computer molecular design techniques. The new system is composed of software for making imaginary compounds on a computer and software for calculating its potency from a three-dimensional molecular structure and operating on a computer workstation. The current computing time on the computer is slightly longer, but it is possible to synthesize millions of hypothetical structures.