应用人工神经网络研究2-羟基-〔1H〕-异吲哚二酮衍生物构效关系

Studies on Structure Activity Relationship of 2-Hydroxy-1-H- isoindolediones by Artificial Neural Network

以人工神经网络误差反传算法对２羟基〔１Ｈ〕异吲哚二酮衍生物构效关系进行了探讨，获得了精密的拟合和准确的预测，拟合结果优于多元线性回归．该方法可作为一种有效的定量构效关系研究工具．

In this paper,the structure activity relationship of 2 hydroxy 1 H isoindolediones was calculated by the backpropagation model.The result showed it possessed high calculated accuracy and predicted ability,the performance of the artificial Neural Netword was better than that of MLR.Therefore the model might be used as an effective assistant technique for the probe of SAR of drugs.