| 支持向量机法预测苯砜基环烷酸酯类化合物的色谱保留 |
| |
| 引用本文： | 关宏宇,毕韶丹,张向东.支持向量机法预测苯砜基环烷酸酯类化合物的色谱保留[J].辽宁大学学报(自然科学版),2006,33(1):52-55. |
| |
| 作者姓名： | 关宏宇 毕韶丹 张向东 |
| |
| 作者单位： | 1. 辽宁大学,化学科学与工程学院,辽宁,沈阳,110036
2. 辽宁大学,化学科学与工程学院,辽宁,沈阳,110036;沈阳理工大学,化工学院,辽宁,沈阳,110168 |
| |
| 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．
|
| 关 键 词： | 支持向量机 色谱保留 苯砜基环烷酸酯类化合物 |
| 文章编号： | 1000-5846（2006）01-0052-04 |
| 收稿时间： | 2005-08-24 |
| 修稿时间： | 2005-08-24 |
Support Vector Machine Applied to Predict Chromatographic Retention of Alkyl ( 1 - Phenylsulfonyl) Cycloalkane - carboxylates |
| |
| GUAN Hong-yu,BI Shao-dan,ZHANG Xiang-dong.Support Vector Machine Applied to Predict Chromatographic Retention of Alkyl ( 1 - Phenylsulfonyl) Cycloalkane - carboxylates[J].Journal of Liaoning University(Natural Sciences Edition),2006,33(1):52-55. |
| |
| Authors: | GUAN Hong-yu BI Shao-dan ZHANG Xiang-dong |
| |
| Institution: | 1. Department of Chemistry, Liaoning University, Shenyang 110036, China ; 2. Chemical Engineering School, ShenYang LiGong University, Shenyang 110168, China |
| |
| Abstract: | 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,SVM's result is better than linear salvation energy relationship's. |
| |
| Keywords: | support vector machine chromatographic retention alkyl(1-phenylsulfonyl)cycloalkane-carboxylates |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
|
