Hansch C, Hoekman D, Leo A, Zhang L, Li P
Chemistry Department, Pomona College, Claremont, CA 91711, USA.
Toxicol Lett. 1995 Sep;79(1-3):45-53. doi: 10.1016/0378-4274(95)03356-p.
Quantitative structure-activity relationships (QSAR) have found wide use in correlating the bioactivity of all kinds of organic compounds with all kinds of biological entities. So many QSAR have been published that it is time for a new phase of study, that of comparative QSAR. From our current database of about 6000 QSAR illustrative examples are discussed.
定量构效关系(QSAR)已在将各类有机化合物的生物活性与各类生物实体进行关联方面得到广泛应用。已发表的QSAR数量众多,现在是时候进入一个新的研究阶段了,即比较定量构效关系阶段。从我们目前约6000个QSAR的数据库中选取了一些示例进行讨论。