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本世纪中期,结构一活性关系的研究大多限于经验的和定性的,但是最近十多年来,定量的结构一活性关系(QSAR)研究,取得了很大的进展。分子理化性质测定技术的发展和电子计算机的广泛使用为QSAR研究提供了很大方便。现已成功地将分子结构的理化性质与生物活性通过某些数学模型建立
In the middle of this century, most of the studies on structure-activity relationship have been limited to empirical and qualitative studies. However, great progress has been made in quantitative QSAR research over the past decade or so. The development of molecular physicochemical properties determination technology and the extensive use of electronic computers have provided great convenience for QSAR research. The physical and chemical properties and biological activity of molecular structures have been successfully established through certain mathematical models