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Utilization of KNApSAcK Family Databases for Developing Herbal Medicine Systems 利用背包家族数据库开发中草药系统
Journal of Computer Aided Chemistry Pub Date : 2016-01-01 DOI: 10.2751/JCAC.17.1
S. Wijaya, Yuki Tanaka, M. Altaf-Ul-Amin, Aki Morita, F. Afendi, I. Batubara, N. Ono, L. K. Darusman, S. Kanaya
{"title":"Utilization of KNApSAcK Family Databases for Developing Herbal Medicine Systems","authors":"S. Wijaya, Yuki Tanaka, M. Altaf-Ul-Amin, Aki Morita, F. Afendi, I. Batubara, N. Ono, L. K. Darusman, S. Kanaya","doi":"10.2751/JCAC.17.1","DOIUrl":"https://doi.org/10.2751/JCAC.17.1","url":null,"abstract":"Recently, the use of traditional medicines for medical treatment and maintaining good health is increasing. This condition has been followed by the increasing number of research activities, publications and databases of crude drug systems to support the scientific aspects of traditional medicines. Nevertheless, the information about traditional medicines is scattered in an unorganized manner and the existing traditional medicine databases have been stored by different database schemas. Therefore, a standardized tool that integrates and provides information about various herbal medicines is needed. In this study, we developed a mobile application with Waterfall Method, called as Herbal Medicine Systems, for various kinds of crude drug systems as a reference of traditional medicines. The KNApSAcK Family Databases were used as a role model to design the database schemas of crude drug systems by using data warehouse pre-processing technique. The Herbal Medicine Systems application is preloaded with 336 and 5,310 Kampo and Jamu formulas respectively from the KNApSAcK Kampo and KNApSAcK Jamu databases. In addition, the Herbal Medicine Systems can predict the efficacy of crude drug combinations by using Random Forest classifier developed based on the formulation of Indonesian Jamu with the average accuracy of 90%.","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"20 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2016-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2751/JCAC.17.1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69255119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Improvement of Prediction Accuracy in Just-In-Time Modelling Using Distance-based Database Update 基于距离的数据库更新提高实时建模预测精度
Journal of Computer Aided Chemistry Pub Date : 2015-01-01 DOI: 10.2751/JCAC.16.1
Kenichi Tanaka, H. Kaneko, Kyosuke Nagasaka, K. Funatsu
{"title":"Improvement of Prediction Accuracy in Just-In-Time Modelling Using Distance-based Database Update","authors":"Kenichi Tanaka, H. Kaneko, Kyosuke Nagasaka, K. Funatsu","doi":"10.2751/JCAC.16.1","DOIUrl":"https://doi.org/10.2751/JCAC.16.1","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"16 1","pages":"1-14"},"PeriodicalIF":0.0,"publicationDate":"2015-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2751/JCAC.16.1","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69255064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Mini-review on Chemoinformatics Approaches for Drug Discovery 药物发现的化学信息学方法综述
Journal of Computer Aided Chemistry Pub Date : 2015-01-01 DOI: 10.2751/JCAC.16.15
N. Kawashita, Hiroyuki Yamasaki, Tomoyuki Miyao, Kentaro Kawai, Y. Sakae, Takeshi Ishikawa, K. Mori, Shinya Nakamura, H. Kaneko
{"title":"A Mini-review on Chemoinformatics Approaches for Drug Discovery","authors":"N. Kawashita, Hiroyuki Yamasaki, Tomoyuki Miyao, Kentaro Kawai, Y. Sakae, Takeshi Ishikawa, K. Mori, Shinya Nakamura, H. Kaneko","doi":"10.2751/JCAC.16.15","DOIUrl":"https://doi.org/10.2751/JCAC.16.15","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"16 1","pages":"15-29"},"PeriodicalIF":0.0,"publicationDate":"2015-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2751/JCAC.16.15","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69255100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
N-N二座配位パラジウム(II)を用いたHeck反応の触媒サイクルと配位子効果に関する理論的研究 关于使用N-N双座配位钯(II)的Heck反应的催化循环和配体效应的理论研究
Journal of Computer Aided Chemistry Pub Date : 2015-01-01 DOI: 10.2751/jcac.16.30
昭平 眞田, 隆明 黒田, 倫徳 隅本, 憲次 堀
{"title":"N-N二座配位パラジウム(II)を用いたHeck反応の触媒サイクルと配位子効果に関する理論的研究","authors":"昭平 眞田, 隆明 黒田, 倫徳 隅本, 憲次 堀","doi":"10.2751/jcac.16.30","DOIUrl":"https://doi.org/10.2751/jcac.16.30","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"16 1","pages":"30-38"},"PeriodicalIF":0.0,"publicationDate":"2015-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2751/jcac.16.30","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69255109","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
データベース更新によるJust-In-Timeモデルの予測精度の改善 通过数据库更新改善justin - time模型的预测精度
Journal of Computer Aided Chemistry Pub Date : 2015-01-01 DOI: 10.11545/ciqs.2015.0_52
健一 田中, 弘昌 金子, 匡介 長阪, 公人 船津
{"title":"データベース更新によるJust-In-Timeモデルの予測精度の改善","authors":"健一 田中, 弘昌 金子, 匡介 長阪, 公人 船津","doi":"10.11545/ciqs.2015.0_52","DOIUrl":"https://doi.org/10.11545/ciqs.2015.0_52","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"24 1","pages":"52-55"},"PeriodicalIF":0.0,"publicationDate":"2015-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"64619754","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
高精度なNear-Infrared Spectroscopyモデル構築を目指した新規スペクトル解析手法の開発 以构建高精度Near-Infrared Spectroscopy模型为目标的新型光谱分析方法的开发
Journal of Computer Aided Chemistry Pub Date : 2014-01-01 DOI: 10.2751/JCAC.15.1
幸司 菅間, 弘昌 金子, 公人 船津
{"title":"高精度なNear-Infrared Spectroscopyモデル構築を目指した新規スペクトル解析手法の開発","authors":"幸司 菅間, 弘昌 金子, 公人 船津","doi":"10.2751/JCAC.15.1","DOIUrl":"https://doi.org/10.2751/JCAC.15.1","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"15 1","pages":"1-9"},"PeriodicalIF":0.0,"publicationDate":"2014-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69255049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
Development of a New Regression Method Considering Predictability and Molecular Design of Amine Compounds for CO2 Separation and Recovery 考虑可预测性和胺类化合物分子设计的CO2分离与回收新回归方法的发展
Journal of Computer Aided Chemistry Pub Date : 2013-01-01 DOI: 10.2751/JCAC.14.1
K. Mishima, H. Kaneko, K. Funatsu
{"title":"Development of a New Regression Method Considering Predictability and Molecular Design of Amine Compounds for CO2 Separation and Recovery","authors":"K. Mishima, H. Kaneko, K. Funatsu","doi":"10.2751/JCAC.14.1","DOIUrl":"https://doi.org/10.2751/JCAC.14.1","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"14 1","pages":"1-10"},"PeriodicalIF":0.0,"publicationDate":"2013-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69254969","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Erd^|^#337;s Numbers of Japanese Informational Chemists 日本信息化学家的数量
Journal of Computer Aided Chemistry Pub Date : 2013-01-01 DOI: 10.2751/JCAC.14.36
A. Oda
{"title":"Erd^|^#337;s Numbers of Japanese Informational Chemists","authors":"A. Oda","doi":"10.2751/JCAC.14.36","DOIUrl":"https://doi.org/10.2751/JCAC.14.36","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"14 1","pages":"36-43"},"PeriodicalIF":0.0,"publicationDate":"2013-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69255037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of a New Index to Monitor Database for Soft Sensors 一种新的软传感器监测数据库索引的开发
Journal of Computer Aided Chemistry Pub Date : 2013-01-01 DOI: 10.2751/JCAC.14.11
H. Kaneko, K. Funatsu
{"title":"Development of a New Index to Monitor Database for Soft Sensors","authors":"H. Kaneko, K. Funatsu","doi":"10.2751/JCAC.14.11","DOIUrl":"https://doi.org/10.2751/JCAC.14.11","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"58 1","pages":"11-22"},"PeriodicalIF":0.0,"publicationDate":"2013-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2751/JCAC.14.11","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69254981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
生命の起源におけるタンパク質ワールド仮説に登場する [GADV]-タンパク質のスレッディングおよびab initioモデリングによる立体構造推定 生命起源的蛋白质世界假说中出现的[GADV]——基于蛋白质的碎裂和ab initio建模的立体结构推测
Journal of Computer Aided Chemistry Pub Date : 2013-01-01 DOI: 10.2751/JCAC.14.23
彰史 小田, 修一 福吉, 良一 中垣
{"title":"生命の起源におけるタンパク質ワールド仮説に登場する [GADV]-タンパク質のスレッディングおよびab initioモデリングによる立体構造推定","authors":"彰史 小田, 修一 福吉, 良一 中垣","doi":"10.2751/JCAC.14.23","DOIUrl":"https://doi.org/10.2751/JCAC.14.23","url":null,"abstract":"","PeriodicalId":41457,"journal":{"name":"Journal of Computer Aided Chemistry","volume":"14 1","pages":"23-35"},"PeriodicalIF":0.0,"publicationDate":"2013-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.2751/JCAC.14.23","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"69255033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
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