阐述了一种新药创制及绿色化学的高效方法与技术——组合化学的起源、现状、建库及活性物鉴别表征，固相与液相组合合成，介绍了各种分析手段在大规模组合化学与高通量群集筛选中的应用。讨论组合化学信息与计量学的应用：估计合成收率，预测产物活性。说明了绿色组合化学能充分利用资源和原料，节省人力和时间。将组合化学与药物设计相结合，可望高效寻找到理想新药。同时还扼要交流了实验室完成的工作，并对组合化学发展作出展望。

The origination and status of the combinatorial chemistry are introduced and described and various approaches for building its libraries are mentioned and classified . Besides, the identification and characterization of the active compounds are recommended and the solid phase combinatorial synthesis and liquid phase combinatorial synthesis are presented. Meanwhile, some analytical methods including infrared spectroscopy, nuclear magnetic resonance spectroscopy, mass spectrometry and so on are applied into combinatorial chemistry. Some powerful chemometric methods and techniques are then discussed for their applying into combinatorial chemistry. From the view of green chemistry, combinatorial chemical techniques could be regarded as "green" methods to fully utilize the resource and materials. When rational drug design is integrated into it, combinatorial chemistry can more efficiently and perfectly be used for innovation of the new drugs. Finally, the combinatorial chemistry is prospected for the application and development in future.

R914 TQ460.1

霍英东基金 [98]，国家“春晖计划”教育部启动基金 [99-3 8]，重庆市应用基础课题 [0 1-0 3 -0 6]资助项目