摘要
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.
出处
《沈阳药科大学学报》
CAS
CSCD
1998年第4期257-259,共3页
Journal of Shenyang Pharmaceutical University
关键词
人工神经网络
构效关系
异吲哚二酮
抗癌药
artificial neural network
structure activity relationship
2 hydroxy 1 H isoindolediones
