摘要
The extended gravitational index G Q and quantum-chemical descriptors were calculated for the relationship analysis of aminoquinolines. An evolutionary algorithm was described for variable selection and building QSAR models. And the quasi-newton neural networks were employed with better results.
The extended gravitational index G Q and quantum-chemical descriptors were calculated for the relationship analysis of aminoquinolines. An evolutionary algorithm was described for variable selection and building QSAR models. And the quasi-newton neural networks were employed with better results.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
2000年第2期219-221,共3页
Chemical Journal of Chinese Universities
基金
国家自然科学基金!(批准号 :29677016)资助
关键词
氨基喹啉
化合物构效关系
抗疟原虫活性
Extended gravitational index
Quantum-chemical descriptors
Aminoquinolines
Evolutionary algorithm
QSAR
