NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES
文献类型：期刊论文
| 作者 | Yang, Hongjun1 ; Chen, Jianxin2; Tang, Shihuan1; Li, Zhenkun1; Zhen, Yisong3,4,5; Huang, Luqi1; Yi, Jianqiang6
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| 刊名 | JOURNAL OF BIOLOGICAL SYSTEMS
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| 出版日期 | 2009-09-01 |
| 卷号 | 17期号:3页码:329-347 |
| 关键词 | Drug Discovery Traditional Chinese Medicine Data Mining Unsupervised Cluster Supervised Regression Formulae Association Mutual Information |
| 英文摘要 | Traditional Chinese Medicine (TCM) documented about 100,000 formulae during past 2500 years. To use and customize them by modern pharmaceutical industry, we make an interdisciplinary effort to study the activity of new drug research and development (R&D) in TCM by introducing data mining approaches to it. We used the migraine formulae as a training set to investigate the possibility of developing new prescription by means of data mining. The activity of new drug R&D of TCM consists of two steps. The first step is to discover new prescriptions (candidates for drugs) from migraine formulae. We present an unsupervised clustering approach based on data mining theory to address the problem in the first step and automatically discover ten new prescriptions from the formulae data. The second step is to develop and optimize the prescriptions discovered by current biomedical approaches. Since Ligusticum chuanxiong Hort (LCH), a kind of herb, is often used to treat migraine and appears in the new prescriptions, we use it as an example and apply supervised regression method based on data mining theory to study the drug R&D activity of TCM. We revised two linear regression methods in order to establish the nonlinear association between three chemical ingredients of LCH and corresponding pharmacological activity and used it to predict the activities. The association is validated by in vitro experiments and we found that the experimental results are consistent with the prediction. Unsupervised clustering and supervised regression cover most part of data mining theory, which means that data mining approaches play a crucial role in new drug R&D in TCM and present a better solution to establish the platform of drug R&D in TCM. |
| WOS标题词 | Science & Technology ; Life Sciences & Biomedicine |
| 类目[WOS] | Biology ; Mathematical & Computational Biology |
| 研究领域[WOS] | Life Sciences & Biomedicine - Other Topics ; Mathematical & Computational Biology |
| 关键词[WOS] | TARGET DISCOVERY ; REGRESSION |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000269124600001 |
| 公开日期 | 2015-12-24 |
| 源URL | [http://ir.ia.ac.cn/handle/173211/9942]  |
| 专题 | 自动化研究所_综合信息系统研究中心 |
| 作者单位 | 1.China Acad Chinese Med Sci, Inst Chinese Mat Med, Beijing 100700, Peoples R China 2.Beijing Univ Chinese Med, Beijing 100029, Peoples R China 3.Chinese Acad Med Sci, FuWai Hosp, Minist Educ, Key Lab Clin Cardiovasc Genet, Beijing 100037, Peoples R China 4.Chinese Acad Med Sci, Cardiovasc Inst, Beijing 100037, Peoples R China 5.Peking Union Med Coll, Beijing 100021, Peoples R China 6.Chinese Acad Sci, Inst Automat, Key Lab Complex Syst & Intelligence Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yang, Hongjun,Chen, Jianxin,Tang, Shihuan,et al. NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES[J]. JOURNAL OF BIOLOGICAL SYSTEMS,2009,17(3):329-347. |
| APA | Yang, Hongjun.,Chen, Jianxin.,Tang, Shihuan.,Li, Zhenkun.,Zhen, Yisong.,...&Yi, Jianqiang.(2009).NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES.JOURNAL OF BIOLOGICAL SYSTEMS,17(3),329-347. |
| MLA | Yang, Hongjun,et al."NEW DRUG R&D OF TRADITIONAL CHINESE MEDICINE: ROLE OF DATA MINING APPROACHES".JOURNAL OF BIOLOGICAL SYSTEMS 17.3(2009):329-347. |
入库方式： OAI收割
来源：自动化研究所
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