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中文摘要：
选取已测活性的17个穿心莲内酯衍生物,利用高斯软件计算得到其结构参数,通过主成分分析筛选出主要影响参数,进一步利用BP神经网络对建立的活性评价模型进行验证.建立了穿心莲内酯衍生物的构效关系,为进一步开发具有更高活性的穿心莲内酯类药物提供理论依据.
英文摘要：
The confirmed activity data of 17 andrographolide derivatives were selected. Structural param- eters were calculated by Gaussian software. According to the principal component analysis, the main pa- rameters were chosen. Then the proposed activity evaluation model was verified through a BP neural net- work. This QSAR modeling provided the theoretical basis for better andrographolide drugs synthesis.
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