参数与构效数据库：实现最大效用的管理
Parameter and structure-activity data bases: management for maximum utility.
作者信息
Leo A
出版信息
Environ Health Perspect. 1985 Sep;61:275-85. doi: 10.1289/ehp.8561275.
Abstract
Quantitative structure-activity relationships (QSAR) in the fields of medicinal chemistry, pesticide science, biochemistry and toxicology are being published at an ever increasing rate. In addition to these biological correlation equations, thousands of such equations have been published for all kinds of organic reactions. There is a great need to develop a computerized system to enable one to make comparisons and to draw generalizations about the effects of structure on chemical and biological activity. A proposal is made for a systematic approach to this problem based on the physicochemical properties of organic compounds.
摘要
在药物化学、农药科学、生物化学和毒理学领域，定量构效关系（QSAR）的相关文献发表数量正呈不断增长之势。除了这些生物相关方程外，针对各类有机反应也已发表了数千个此类方程。迫切需要开发一种计算机化系统，以便能够对结构对化学和生物活性的影响进行比较并得出一般性结论。本文基于有机化合物的物理化学性质，针对该问题提出了一种系统方法。
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Parameter and structure-activity data bases: management for maximum utility.参数与构效数据库：实现最大效用的管理
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