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首页> 外文会议>Proceedings of 4th international symposium on pesticides and environmental safety amp; 5th pan Pacific confernce on pesticide science amp; 8th international workshop on crop protection chemistry and regulatory harmonization >Half a Century of Agrochemical QSAR
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Half a Century of Agrochemical QSAR

机译：农化QSAR的半个世纪

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@@ As a general approach to examining relationships between structure and biological activity, the classical QSAR (quantitative structure-activity relationship) procedure was published just half a century ago by Corwin Hansch and his coworkers including the present author[1a,1b,2]. The original project at that time was to obtain an insight into (sub)molecular mechanism of action of the plant growth regulators/ herbicides of substituted phenoxyacetic acid series through analyzing substituent effects on their structure-activity relationship[1]. Thus, the classical QSAR of the Hansch-type stems from agrochemistry. Since then, a number of the classical QSAR studies have been published not only in agrochemical[3,4] but also more in medicinal/pharmaceutical chemistry area[5,6]. From QSAR analyses for series of bioactive compounds, we could extract guiding principles and construct models to design and synthesize new compounds the activity profiles of which are improved over those of existing series members. We could also obtain an insight into the (sub)molecular mechanism of the biological action. Here, a couple of examples of agrochemical QSAR studies accumulated in the 50 years are presented.
机译：@@作为检验结构与生物活性之间关系的通用方法，经典的QSAR（定量结构-活性关系）程序是半个世纪前由Corwin Hansch及其同事（包括本作者）发表的[1a，1b，2] 。当时的原始项目是通过分析取代基对它们的结构-活性关系的影响，来了解取代的苯氧乙酸系列的植物生长调节剂/除草剂的（亚）分子作用机理。因此，Hansch型的经典QSAR源于农业化学。从那以后，许多经典的QSAR研究不仅在农业化学领域发表[3,4]，而且在药物/药物化学领域也发表了更多文献[5,6]。从一系列生物活性化合物的QSAR分析中，我们可以提取指导原则并构建模型，以设计和合成新化合物，其活性比现有系列成员有所改善。我们还可以了解生物作用的（亚）分子机制。这里，列举了50年来积累的一些农药QSAR研究实例。

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