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首页> 外文期刊>Organic Chemistry: Current Research >Anti-Influenza Activity of Monoterpene-Containing Substituted Coumarins Using Physicochemical Parameters
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Anti-Influenza Activity of Monoterpene-Containing Substituted Coumarins Using Physicochemical Parameters

机译:物理化学参数的单萜取代香豆素的抗流感活性

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A Quantative-Structure-Activity Relationship (QSAR) study is performed on monoterpene-containing substituted coumarins, A number of highly descriptive and predictive QSAR models for these compounds were obtained by Using physicochemical parameters using stepwise-multiple linear regressions methods. Model validation is performed by incorporating training and test sets approach and calculating R2 which is equal to 0.9943 and also Regression analysis data has indicated that activity can be best modeled in multi-parametric regression.
机译:对含单萜的取代香豆素进行了定量-结构-活性关系(QSAR)研究,使用逐步多线性回归方法,使用理化参数获得了这些化合物的许多高度描述性和预测性QSAR模型。通过合并训练和测试集方法并计算R2(等于0.9943)来执行模型验证,并且回归分析数据表明,可以在多参数回归中对活动进行最佳建模。

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