Application of Neural Network Method on the Quantitive Structure-Activity Relationship of Quinolones Compounds
- VernacularTitle:神经网络法在喹诺酮类化合物定量构效关系中的应用
- Author:
Botao GUO
;
Dong YI
- Publication Type:Journal Article
- Keywords:
BP neural network;
Quantitive structure-activity relationship;
Matlab
- From:
China Pharmacy
2001;0(07):-
- CountryChina
- Language:Chinese
-
Abstract:
OBJECTIVE:To study the quantitative structure-activity relationship of quinolones compounds by neural network(NN)method.METHODS:A3-layered BP neural network was constructed with the Matlab software package,the collected data were calculated,result of which was compared with that of the linear regression.RESULTS:Sum of square of errors for the neural network method was0.3042,which was less than that of linear regression;the predicted correlation co-efficient was0.86.CONCLUSION:The neural network method has achieved more precise fitting results than the linear re-gression in the study of the quantitative structure-activity relationship of quinolones compounds.
