High dimensional data mining of drug therapeutic effects by the analysis of single nucleotide polymorphism and chemical structure of drugs

通过药物单核苷酸多态性和化学结构分析，进行药物疗效高维数据挖掘

• 批准号: 14208032
• 负责人: OKADA Takashi
• 金额: $ 20.47万
• 依托单位: Kwansei Gakuin University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (A)
• 财政年份: 2002
• 资助国家: 日本
• 起止时间: 2002 至 2005
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-14208032/
• 关键词: Data mining; Clinical database; Single nucleotide polymorphism; Cascade model; CVP450; Structure-activity relationships; Numerical association rule; Fingertip pulse wave; 化学構造; 代謝酵素; 国際研究者交流; ペルー; 医薬品化学構造; 代謝; P450

The objectives of this research project are to develop a methodology of data mining for high dimensional data, and to apply it to the analysis of structure-activity relationships of drugs, the discovery of important genes with SNPs for medical care as well as finding essential factors influencing the quality of patients' life. Various experiments are done to accomplish the research, including wet lab works using DNA microarray. Several results achieved to date are shown below.1.Attribute generation system from the chemical structure of drugs is developed to give many linear fragments. The attribute selecting scheme is also introduced to facilitate the effective and efficient mining.2.The cascade model, a mining method developed by Okada, was extended to organize rules into principal and relative rules. Topographical expression of rules was also introduced to provide the better understanding of datascape.3.The application of the above method to Dopamine receptor ligands resulted in the discovery of agonist and antagonist pharmacophores.4.Microarray experiments of insulin-resistant diabetic patients led to the identification relevant SNPs. Further, important genes were discovered, which are evoked by locomotor stimulation, Helicobacter pylori and retinoic acid used to prevent cancer.5.Software has been developed to evaluate SNPs effects in receptor-ligand interaction and transcription to RNA.6.Clinical records in the hospital for the old are collected and their CYP450 SNPs were investigated. The analysis has shown that pharmaceutical interactions are important for the patients' quality of life.7.A method was developed to mine numerical association rules and to utilize them for the classification.8.Measurement of fingertip pulse waves was established as a simple and convenient method to analyze the human's psychological conditions.

本研究项目的目标是开发一种高维数据的数据挖掘方法，并将其应用于药物构效关系分析、发现具有SNP的医疗重要基因以及寻找影响患者生活质量的重要因素。为了完成这项研究，我们进行了各种实验，包括使用 DNA 微阵列的湿实验室工作。迄今为止取得的几项成果如下： 1.开发了根据药物化学结构的属性生成系统，以给出许多线性片段。还引入了属性选择方案，以促进有效和高效的挖掘。2.级联模型是Okada开发的挖掘方法，将规则组织为主要规则和相关规则。还引入了规则的拓扑表达，以提供对数据景观的更好理解。3.将上述方法应用于多巴胺受体配体导致了激动剂和拮抗剂药效团的发现。4.胰岛素抵抗糖尿病患者的微阵列实验导致了相关SNP的鉴定。此外，还发现了由运动刺激、幽门螺杆菌和用于预防癌症的视黄酸诱发的重要基因。5.开发了软件来评估SNP在受体-配体相互作用和转录成RNA中的作用。6.收集了医院老年人的临床记录，并对其CYP450 SNP进行了调查。分析表明药物相互作用对患者的生活质量非常重要。7.开发了一种挖掘数值关联规则并利用其进行分类的方法。8.建立了指尖脉搏波测量作为分析人类心理状况的一种简单方便的方法。

项目成果

Applying the Apriori-based Graph Mining Method to Mutagenesis Data Analysis

基于Apriori的图挖掘方法应用于诱变数据分析

• 发表时间: 2002
• 期刊: Journal of Computer Aided Chemistry Vol.2
• 作者: Aroyo;L.;Mizoguchi;R.;Tzolov;C.;西沢麦夫 他;K.Dohi et al.;Masatsugu Nakamura.;Akihiro Inokuchi
• 通讯作者: Akihiro Inokuchi

相関ルールとその周辺

协会章程及周边

• 发表时间: 2002
• 期刊: オペレーションズ・リサーチ Vol47・No.9
• 作者: 門田貴洋;片桐知之;生目田真吾;古久保斗志;松比良和晃;島野光司;佐藤利幸;T.Hayashi et al.;岡田孝
• 通讯作者: 岡田孝

数値属牲を含む多頻度アイテム集合導出手法QFIMinerの統計的改良

QFIMiner 的统计改进，一种导出包含数值属性的频繁项集的方法

• 发表时间: 2006
• 期刊: 人工知能学会研究会資料 SIG-KBS-A504
• 作者: Hirotaka Aoki;Kenji Itoh;T.Hatano et al.;呉昌志
• 通讯作者: 呉昌志

LC-TOFMSによるオフシーズン花粉症患者の血漿分析-メタボロミクスアプローチによる解析-

使用 LC-TOFMS 对淡季花粉症患者进行血浆分析 - 使用代谢组学方法进行分析 -

• 发表时间: 2006
• 期刊: アレルギーの臨床 特集 花粉症治療はこの10年間どう進歩したか Vol.26(2)
• 作者: Toshinobu Kasai;Haruhisa Yamaguchi;Kazuo Nagano;Riichiro Mizoguchi;Kaoru NAKAZONO;一石英一郎
• 通讯作者: 一石英一郎

Mental Load Effects to the Lyapunov Index of Fingertip Pulse Waves

精神负荷对指尖脉搏波李亚普诺夫指数的影响

• 发表时间: 2005
• 期刊: Phisiologic Psychology & Psychophysiology (in Japanese) Vol.23, No.2
• 作者: A.Inaba;R.Mizoguchi;T.Terasaki;Hiroyuki Kitano et al.;Yuko Nakata
• 通讯作者: Yuko Nakata