组合学说(The Theory of Sets) 新药疗效应比已知药物优越,即其生物活性应满足更高的要求。由于药物的发展主要尚处于经验方式,增加要求就会减少寻找合适化合物的机率。通过理论途径一般能可信地预言理想化合物的结构,使新药寻找的机率大大提高,从而节约实验工作和时间。可是目前这样的途径似难以实现。一个降低实验费用的较好方法为采用系统寻找步骤。这系指适当选择供试化合物并从有关构-效关系的试验结果有效地选取资料, The Theory of Sets The new drug is superior to known drugs in that its biological activity should meet even higher requirements. Due to the fact that the development of drugs is still largely empirical, increasing the number of requests will reduce the chances of finding suitable compounds. Through theoretical approaches, the structure of ideal compounds can be predicted in a reliable manner and the probability of finding new drugs can be greatly increased, thereby saving experimental work and time. However, this approach seems to be difficult to achieve. A better way to reduce the cost of experimentation is to use a systematic look-up step. This refers to the appropriate selection of test compounds and the effective selection of data from test results on the structure-activity relationship,