摘要
The biophore model of sulfonylurea herbicides (the training set contains 31 compounds) was obtained by using the advanced APEX-3D method. On the basis of the identilied biophore model, the activities of some known ALS inhibitors were predicted.Most of the predictions were in good agreement with experiments. The quality of the biophore model has been proved to be reliable. This research suggests a new approach for designing the new series of ALS inhibitors.
The biophore model of sulfonylurea herbicides (the training set contains 31 compounds) was obtained by using the advanced APEX-3D method. On the basis of the identilied biophore model, the activities of some known ALS inhibitors were predicted.Most of the predictions were in good agreement with experiments. The quality of the biophore model has been proved to be reliable. This research suggests a new approach for designing the new series of ALS inhibitors.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1995年第9期773-776,共4页
Acta Physico-Chimica Sinica
基金
国家自然科学基金
关键词
磺酰脲
除草剂
药效团模型
乙酰乳酸合成酶
Sulfonylurea herbicides, Biophore model,Acetolactate synthase,APEX(Activity Prediction Expert System)-3D
