Objective To study the quantitative structure - activity relationship ( QSAR ) of carbapenems and the design of new compounds.
目的研究碳青霉烯类化合物的定量构效关系 ( QSAR ),并进行新的碳青霉烯类化合物的分子设计.
QSAR are commonly regarded as the best approaches to computational molecular design.
因此QSAR一般被公认为是电脑辅助药物设计中最好的方法.
Data mining and quantitative structure - activity relationship ( QSAR ) are fundamental approaches for drug discoverty research.
数据发掘和定量的构效关系 ( QSAR ) 是药物发现中重要的研究方法.本文首先介绍了一种极具实用价值的无模式分类与模式识别的基本方法,即k最近邻法.