摘要
目的 验证结合药物构效关系 ,利用人工神经网络进行智能化药物设计的可行性 .方法 编制人工神经网络程序 ,选取已知构效关系的药物进行训练及预测 .结果 随着训练模式的增多 ,人工神经网络的智能化逐渐增强 .
AIM To research the capability of ANN in intelligent druggery design. METHODS training the BP ANN programmed by structural parameters and biological activities of N, N dimethyl 2 bromo(substituted phenyl) ethylamines and forecast the activity by the ANN. RESULTS Along with the growth of training patterns,the intelligence of the ANN has remarkable progress. CONCLUSION ANN can be use in intelligent druggery design.
出处
《医学争鸣》
CAS
北大核心
2001年第S1期42-43,共2页
Negative
关键词
人工神经网络
定量构效关系
药物设计
artificial neural network
quantitative structure Activity relationship
druggery design
