Prediction of mutagenic toxicity by combination of recursive partitioning and support vector machines
文献类型：期刊论文
| 作者 | Liao Q(廖泉) ; Yao JH(姚建华) ; Yuan SG(袁身刚) |
| 刊名 | Mol. Divers.
 |
| 出版日期 | 2007 |
| 卷号 | 11期号:2页码:59-72 |
| ISSN号 | 1381-1991 |
| 其他题名 | 递归分类与支持向量机结合预测致突变毒性 |
| 通讯作者 | 姚建华 |
| 英文摘要 | The study of prediction of toxicity is very important and necessary because measurement of toxicity is typically time-consuming and expensive. In this paper, Recursive Partitioning (RP) method was used to select descriptors. RP and Support Vector Machines (SVM) were used to construct structure-toxicity relationship models, RP model and SVM model, respectively. The performances of the two models are different. The prediction accuracies of the RP model are 80.2% for mutagenic compounds in MDL's toxicity database, 83.4% for compounds in CMC and 84.9% for agrochemicals in in-house database respectively. Those of SVM model are 81.4%, 87.0% and 87.3% respectively. |
| 学科主题 | 计算机化学与化学信息学 |
| 收录类别 | SCI |
| 原文出处 | http://dx.doi.org/10.1007/s11030-007-9057-5 |
| 语种 | 英语 |
| WOS记录号 | WOS:000248837000001 |
| 公开日期 | 2013-02-26 |
| 源URL | [http://202.127.28.38/handle/331003/20619]  |
| 专题 | 上海有机化学研究所_计算机化学与化学信息学研究室 |
| 推荐引用方式 GB/T 7714 | Liao Q,Yao JH,Yuan SG. Prediction of mutagenic toxicity by combination of recursive partitioning and support vector machines[J]. Mol. Divers.,2007,11(2):59-72. |
| APA | 廖泉,姚建华,&袁身刚.(2007).Prediction of mutagenic toxicity by combination of recursive partitioning and support vector machines.Mol. Divers.,11(2),59-72. |
| MLA | 廖泉,et al."Prediction of mutagenic toxicity by combination of recursive partitioning and support vector machines".Mol. Divers. 11.2(2007):59-72. |
入库方式： OAI收割
来源：上海有机化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。