摘要
应用支持向量机方法研究了28种苯砜基环烷酸酯类化合物的色谱保留和分子结构的定量关系,结果发现,采用支持向量机方法可以实现使用较少样本数据建模,并达到较好预测结果的目的.支持向量机方法的预测结果远优于线性溶解能关系法的预测结果.
Support vector machine was used to study chromatographic retention and molecular structure relationship of 28 alkyl( 1 -phenylsulfonyl)cycloalkane-carboxylates. The results showed that fewer samples was used to set up a model and we could get a good output, moreover, SVMg result is better than linear salvation energy relationshipg.
出处
《辽宁大学学报(自然科学版)》
CAS
2006年第1期52-55,共4页
Journal of Liaoning University:Natural Sciences Edition
关键词
支持向量机
色谱保留
苯砜基环烷酸酯类化合物
support vector machine
chromatographic retention
alkyl ( 1 - phenylsulfonyl) cycloalkane - carboxylates.