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Knowledge base construction of motif chemical structures causing various bioactivities

Research Project

Project/Area Number 18200010
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Intelligent informatics
Research InstitutionKwansei Gakuin University

Principal Investigator

OKADA Takashi  Kwansei Gakuin University, 理工学部, 教授 (00103135)

Co-Investigator(Kenkyū-buntansha) TAKAHASHI Yoshimasa  豊橋技術科学大学, 工学部, 教授 (00144212)
鷲尾 隆  大阪大学, 産業科学研究所, 教授 (00192815)
藤島 悟志  豊橋技術科学大学, 工学部, 助教 (10411787)
沼尾 正行  大阪大学, 産業科学研究所, 教授 (30198551)
Co-Investigator(Renkei-kenkyūsha) WASHIO Takashi  大阪大学, 産業科学研究所, 教授 (00192815)
FUJISHIMA Satoshi  豊橋技術科学大学, 工学部, 助教 (10411787)
Project Period (FY) 2006 – 2008
Project Status Completed (Fiscal Year 2008)
Budget Amount *help
¥42,900,000 (Direct Cost: ¥33,000,000、Indirect Cost: ¥9,900,000)
Fiscal Year 2008: ¥15,340,000 (Direct Cost: ¥11,800,000、Indirect Cost: ¥3,540,000)
Fiscal Year 2007: ¥15,340,000 (Direct Cost: ¥11,800,000、Indirect Cost: ¥3,540,000)
Fiscal Year 2006: ¥12,220,000 (Direct Cost: ¥9,400,000、Indirect Cost: ¥2,820,000)
Keywords知識発見 / データマイニング / 生理活性 / カスケードモデル / 医薬品 / BASiC / 構造活性相関
Research Abstract

生理活性化合物の特徴的な構造をBAS (Basic Active Structure)と名付け,GPCR活性を中心とする多くの活性群から発掘することに成功した.活性の種類としてはopamine, 5-HT, adrenaline, adenosine, histamine, benzodiazepine, endothelinに関するagonist, antagonistならびにラットの血液毒性からの結果を,知識ベースBASiC (BASs in Chemicals)としてInternet上に公開した(http://www.dm-lab.ws/BASiC/).さらに,マイニングを効率的に遂行するために, BAS精錬システムを始め,多くのソフトウェア群を開発することができた.

Report

(4 results)
  • 2008 Annual Research Report   Final Research Report ( PDF )
  • 2007 Annual Research Report
  • 2006 Annual Research Report
  • Research Products

    (121 results)

All 2009 2008 2007 2006 Other

All Journal Article (46 results) (of which Peer Reviewed: 31 results) Presentation (58 results) Book (14 results) Remarks (3 results)

  • [Journal Article] 日本語テキスト処理ライブラリJLTKの開発2009

    • Author(s)
      武田俊之
    • Journal Title

      情報科学研究 Vol. 23

      Pages: 3-12

    • Related Report
      2008 Annual Research Report
  • [Journal Article] SVMを用いた薬物多重活性クラスの分類学習と予測2008

    • Author(s)
      高橋由雅, 河合健太郎
    • Journal Title

      生物工学会誌 第86巻第12号

      Pages: 589-592

    • NAID

      110007028919

    • Related Report
      2008 Final Research Report
  • [Journal Article] A Fast Method to Mine Frequent Subsequences from Graph Sequence Data2008

    • Author(s)
      Akihiro Inokuchi, Takashi Washio
    • Journal Title

      Proc. of the 2008 Eighth IEEE International Conference on Data Mining (ICDM2008), IEEE Computer Society

      Pages: 303-312

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Predictive Activity Profiling of Drugs by Topological Fragment -Spectra- Based Support Vector Machines2008

    • Author(s)
      Kentaro Kawai, Satoshi Fuiishima, Yoshimasa Takahashi
    • Journal Title

      Journal of Chemical Information and Modeling, ACS Vol.48, No.6

      Pages: 1152-1160

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Pharmacophore Refinement in the Chemical Structure Space2008

    • Author(s)
      Satoshi Fujishima, Yoshimasa Takahashi, Takashi Okada
    • Journal Title

      The Journal of Computer Chemistry, Japan, SCCJ Vol.7, No.2

      Pages: 63-70

    • NAID

      10021072248

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] SVMを用いた薬物多重活性クラスの分類学習と予測2008

    • Author(s)
      高橋由雅
    • Journal Title

      生物工学会誌 第86巻第12号

      Pages: 589-592

    • NAID

      110007028919

    • Related Report
      2008 Annual Research Report
  • [Journal Article] Solving the Contamination Minimization Problem on Networks for the Linear Threshold Model2008

    • Author(s)
      M. Kimura
    • Journal Title

      Proc. of the 10th Pacific Rim International Conference on Artificial Intelligence (PRICAI08), Springer LNAI Vol. 5351

      Pages: 977-984

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Fast Method to Mine Frequent Subsequences from Graph Sequence Data2008

    • Author(s)
      Akihiro Inokuchi
    • Journal Title

      Proc. of the 2008 Eighth IEEE International Conference on Data Mining (ICDM2008), IEEE Computer Society ISBN-ISSN 1550-4786

      Pages: 303-312

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effective Visualization of Information Diffusion Process over Complex Networks2008

    • Author(s)
      K. Saito
    • Journal Title

      Proc. of the European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Database (ECML PKDD), Part II, Springer LNAI Vol. 5212

      Pages: 326-341

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Bank Run Model in Financial Crises2008

    • Author(s)
      Katsutoshi Yada
    • Journal Title

      Proc. of 12th International Conference on Knowledge-Based and Intelligent Information&Engineering Systems (KES2008), PartII, Springer LNAI Vol. 5178

      Pages: 703-710

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Modeling Dynamic Substate Chains among Massive States2008

    • Author(s)
      Viet Phuong Nguyen
    • Journal Title

      Intelligent Data Analysis, IOS Vol. 12Issue3

      Pages: 271-291

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Predictive Activity Profiling of Drugs by Topological-Fragment-Spectra-Based Support Vector Machines2008

    • Author(s)
      Kentaro Kawai
    • Journal Title

      Journal of Chemical Information and Modeling, ACS Vol. 48 No. 6

      Pages: 1152-1160

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pharmacophore Refinement in the Chemical Structure Space2008

    • Author(s)
      Satoshi Fujishima
    • Journal Title

      The Journal of Computer Chemi stry, Japan, SCCJ Vol. 7 No. 2

      Pages: 63-70

    • NAID

      10021072248

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] DRYADEPARENT, An Efficient and Closed Attribute Tree Mining Algorithm2008

    • Author(s)
      Alexandre Termier
    • Journal Title

      IEEE Transactions on Knowledge and Data Engineering Vol. 20 Issue3

      Pages: 300-320

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] DRYADEPARENT,An Efficient and Closed Attribute Tree Mining Algorithm2008

    • Author(s)
      Alexandre Termier
    • Journal Title

      IEEE Transactions on Knowledge and Data Engineering Vol.20,No.2

      Pages: 300-320

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Modeling Dynamic Substate Chains among Massive States2008

    • Author(s)
      Viet. P. Nguyen
    • Journal Title

      Intelligent Data Analysis(IDA) Vol.12,No.3

      Pages: 484-489

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Top 10 Algorithms in data mining2008

    • Author(s)
      Xindong Wu
    • Journal Title

      Knowledge and Information Systems, Springer London Vol.14,No.1

      Pages: 1-37

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pharmacophore Knowledge Refinement Method in the Chemical Structure Space2008

    • Author(s)
      Satoshi Fujishima
    • Journal Title

      The proceedings of The Tenth International Conference on Discovery Science, Springer-Verlag LNCS4755

      Pages: 243-247

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pharmacophore Knowledge Refinement Method in the Chemical Structure Space2007

    • Author(s)
      Satoshi Fuiishima, Yoshimasa Takahashi, Takashi Okada
    • Journal Title

      The proceedings of The Tenth International Conferenceon Discovery Science, Springer-Verlag LNCS4755

      Pages: 243-247

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] A Correlation-Based Approach to Attribute Selection in Chemical Graph Mining2007

    • Author(s)
      Takashi OKADA
    • Journal Title

      New Frontiers in Artificial Intelligence, JSAI2003 and JSAI2004 Conferences and Workshops, Springer-Verlag LNCS3609

      Pages: 517-526

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Pattern Discovery from Graph -Structured Data -A Data Mining Perspective2007

    • Author(s)
      Hiroshi Motoda
    • Journal Title

      New Trends in Applied Artificial Intelligence, SpringerVerlag LNCS4570

      Pages: 12-22

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Extended Study of the Classification of Dopamine Receptor Agonists and Antagonists using a TFS-based Support Vector Machine2007

    • Author(s)
      Satoshi Fujishima, Yoshimasa Takahashi, Katsumi Nishikoori, Hiroaki Kato, Takashi Okada
    • Journal Title

      New Generation Computing, Ohmusha, Ltd. And Springer Vol.25, No.3

      Pages: 203-212

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] A Classification Method Based on Subspace Clustering and Association Rules2007

    • Author(s)
      Takashi Washio, Koutarou Nakanishi, Hiroshi Motoda
    • Journal Title

      New Generation Computing, Ohmusha, Ltd. And Springer Vol.25

      Pages: 235-245

    • NAID

      10022006874

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] データマイニングの基礎と医薬への応用2007

    • Author(s)
      Takashi OKADA
    • Journal Title

      Introduction to Data Miningand its Application to Pharmaceauticals, FARUMASHIA, The Pharmaceutical Society of Japan Vol.43, No.22

      Pages: 133-138

    • Related Report
      2008 Final Research Report
  • [Journal Article] 因果関係モデリングにおけるデータマイニング・グラフマイニング技術の活用2007

    • Author(s)
      鷲尾 隆
    • Journal Title

      日本化学会情報化学部会誌 Vol.25,No.3

      Pages: 76-80

    • NAID

      130000091047

    • Related Report
      2007 Annual Research Report
  • [Journal Article] Communicability Criteria of Law Equation Discovery2007

    • Author(s)
      Takashi Washio
    • Journal Title

      Computational Discovery of Scientific Knowledge, Introduc-tion, Techniques and Applications in Environmental and Life Sciences, Springer-Verla LNCS4660

      Pages: 98-119

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Correlation-Based Approach to Attribute Selection in Chemical Graph Mining2007

    • Author(s)
      Takashi OKADA
    • Journal Title

      New Frontiers in Artificial Intelligence, JSAI2003 and JSAI 2004 Conferences and Workshops, Springer-Verlag LNCS3609

      Pages: 517-526

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Pattern Discovery from Graph-Structured Data-A Data Mining Perspective2007

    • Author(s)
      Hiroshi Motoda
    • Journal Title

      New Trends in Applied Artificial Intelligence, Springer-Verlag LNCS4570

      Pages: 12-22

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Extended Study of the Classification of Dopamine Receptor Agonists and Antagonists using a TFS-based Support Vector Machine2007

    • Author(s)
      Satoshi Fujishima
    • Journal Title

      New Generation Computing, Ohmusha, Ltd.And Springer Vol.25,No.3

      Pages: 203-212

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Classification Method Based on Subspace Clustering and Association Rules2007

    • Author(s)
      Takashi Washio
    • Journal Title

      New Generation Computing, Ohmusha, Ltd.And Springer Vol.25

      Pages: 235-245

    • NAID

      10022006874

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Analysis on a Relation between Enterprise Profit and Financial Sate by Using Data Mining Techniques2007

    • Author(s)
      Takashi Washio
    • Journal Title

      New Frontiers in Artificial Intelligence, JSAI2006 Conference and Workshops, Springer-Verlag LNCS4384

      Pages: 305-316

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Analysis of Hepatitis Dataset by Decision Tree Based on Graph-Based Induction2007

    • Author(s)
      Warodom Geamsakul
    • Journal Title

      New Frontiers in Artificial Intelligence, JSAI 2003 and JSAI 2004 Conferences and Workshops, Springer-Verlag LNAI3609

      Pages: 5-28

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Search Engine Retrieval of Changing Information2007

    • Author(s)
      Y. S. Kim
    • Journal Title

      Proceedings of the 16th International World Wide Web Conference, ACM Publisher ISBN:978-1-59593-654-7

      Pages: 1195-1196

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A Correlation-Based Approach to Attribute Selection in Chemical Graph Mining2007

    • Author(s)
      Takashi OKADA
    • Journal Title

      Post - Proceedings of the Workshop in Artificial Intelligence, JSAI2004, Springer - Verlag LNAI3609(in press)

    • Related Report
      2006 Annual Research Report
  • [Journal Article] データマイニングの基礎と医薬への応用 Introduction to Data Mining and its Application to Pharmaceauticals2007

    • Author(s)
      Takashi OKADA
    • Journal Title

      FARUMASHIA, The Pharmaceutical Society of Japan Vol.43, No.2

      Pages: 133-138

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Constructing Decision Trees for Graph-Structured Data by Chunkingless Graph - Based Induction2006

    • Author(s)
      Phu Chien Nguyen, Kouzou Ohara, Akira Mogi, Hiroshi Motoda, Takashi Washio
    • Journal Title

      Proceedings of loth Pacific - Asia Conference (PAKDD2006), Advances in Knowledge Discovery and Data Mining, Springer LNAI3918

      Pages: 390-399

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Mutagenicity Risk Analysis by Using Class Association Rules2006

    • Author(s)
      Takashi Washio
    • Journal Title

      Post-Proceedings of Joint JSAI 2005 Workshop, New Frontiers in Artificial Intelligence, Springer-Verlag LNAI4012

      Pages: 436-445

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] Graph Clustering Based on Structural Similarity of Fragments2006

    • Author(s)
      T. Yoshida, R. Shoda, H. Motoda
    • Journal Title

      Proceedings of the International Workshop on Federation over the Web, Springer-Verlag LNAI3847

      Pages: 97-114

    • Related Report
      2008 Final Research Report
    • Peer Reviewed
  • [Journal Article] 特徴的リード構造抽出のための部分構造精錬システムの開発2006

    • Author(s)
      藤島悟志
    • Journal Title

      第34回構造活性相関シンポジウム 講演要旨集 K09

      Pages: 37-38

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Analysis on a Relation between Enterprise Profit and Financial State by Using Data Mining Techniques2006

    • Author(s)
      Takashi Washio
    • Journal Title

      Working Notes of RM2006, Workshop on Risk Mining, Data Mining for Detection, Analysis and Utilization of Risk Information, Collocated with The 20th National Meeting of JSAI2006

      Pages: 35-46

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Graph Clustering Based on Structural Similarity of Fragments2006

    • Author(s)
      T.Yoshida
    • Journal Title

      Proceedings of the International Workshop on Federation over the Web, Springer - Verlag LNAI 3847

      Pages: 97-114

    • Related Report
      2006 Annual Research Report
  • [Journal Article] 部分空間クラスタリングと相関規則に基づく分類学習手法2006

    • Author(s)
      中西 耕太郎
    • Journal Title

      人工知能学会論文誌 Vol.21, No.6

      Pages: 526-536

    • Related Report
      2006 Annual Research Report
  • [Journal Article] 適応的密度基準に基づく部分空間クラスタリングを用いた定量的多頻度アイテム集合のマイニング2006

    • Author(s)
      光永 悠紀
    • Journal Title

      人工知能学会論文誌 Vol.21, No.5

      Pages: 439-449

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Constructing Decision Trees for Graph - Structured Data by Chunkingless Graph - Based Induction2006

    • Author(s)
      Phu Chien Nguyen
    • Journal Title

      Proceedings of 10th Pacific - Asia Conference, PAKDD2006, Advances in Knowledge Discovery and Data Mining LNAI 3918

      Pages: 390-399

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Mutagenicity Risk Analysis by Using Class Association Rules2006

    • Author(s)
      Takashi Washio
    • Journal Title

      Post - Proceedings of Joint JSAI 2005 Workshop, New Frontiers in Artificial Intelligence, Series : Lecture Notes in Computer Science, Springer - Verlag LNAI4012

      Pages: 436-445

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Extracting Discriminative Patterns from Graph Structured Data using Constrained Search, Advances in Knowledge Acquisition and Management2006

    • Author(s)
      Kiyoto Takabayashi
    • Journal Title

      Pacific Rim Knowledge Acquisition Workshop, PKAW 2006, Revised Selected Papers LNAI 4303

      Pages: 64-74

    • Related Report
      2006 Annual Research Report
  • [Presentation] 社会ネットワークにおける汚染拡散最小化のためのリンク封鎖2009

    • Author(s)
      木村昌弘
    • Organizer
      人工知能学会第9回デークマイニングと統計数理研究会
    • Place of Presentation
      メルパルク京都
    • Year and Date
      2009-03-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] カスケードモデルからの少数ルール群選択による高性能分類器の構築2009

    • Author(s)
      大村隆晴, 中野優, 岡田孝
    • Organizer
      人工知能学会第9回データマイニングと統計数理研究会
    • Place of Presentation
      メルパルク京都
    • Year and Date
      2009-03-03
    • Related Report
      2008 Final Research Report
  • [Presentation] カスケードモデルからの少数ルール群選択による高性能分類器の構築2009

    • Author(s)
      大村隆晴
    • Organizer
      人工知能学会第9回デークマイニングと統計数理研究会
    • Place of Presentation
      メルパルク京都
    • Year and Date
      2009-03-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] Pruning Strategies Based on the Upper Bound of Information Gain for Discriminative Subgraph Mining2008

    • Author(s)
      K. Ohara, M. Hara, K. Takabayashi, H. Motoda, Takashi Washio
    • Organizer
      The 2008 Pacific Rim Knowledge Acquisition Workshop, in The Tenth Pacific Rim International Conference on Aれificial Intelligence
    • Place of Presentation
      Ta Quang Buu Hbary, Hanoi University of Technology, Vietnam
    • Year and Date
      2008-12-16
    • Related Report
      2008 Final Research Report
  • [Presentation] Pruning strategies Based on the Upper Bound of Information Gain for Discriminative Subgraph Mining2008

    • Author(s)
      K. Ohara
    • Organizer
      The 2008 Pacific Rim Knowledge Acquisition Workshop, in The Tenth Pacific Rim International Conference on Artificial Intelligence
    • Place of Presentation
      Ta Quang Buu libary, Hanoi University of Technology, Vietnam
    • Year and Date
      2008-12-16
    • Related Report
      2008 Annual Research Report
  • [Presentation] What does an Information Diffusion Model Tell about Social Network structure?2008

    • Author(s)
      T. Fushimi
    • Organizer
      The 2008 Pacific Rim Knowledge Acquisition Workshcp, in The Tenth Pacific Rim International Conference on Artificial Intelligence
    • Place of Presentation
      Ta Quang Buu libary, Hanoi University of Technology, Vietnam
    • Year and Date
      2008-12-16
    • Related Report
      2008 Annual Research Report
  • [Presentation] Isomorphism Identification by Using Graph Spectra and Its application to Graph Mining2008

    • Author(s)
      Kouzou Ohara, Takashi Washio
    • Organizer
      4th World Conference of the IASC (International Assocration for Statistical Computinng)
    • Place of Presentation
      PACIFIC CONVENTION PLAZA YOKOHAMA
    • Year and Date
      2008-12-06
    • Related Report
      2008 Final Research Report
  • [Presentation] Isomorphism Identification by Using Graph Spectra and Its application to Graph Mining2008

    • Author(s)
      Kouzou Ohara
    • Organizer
      4th World Conference of the IASC (International Association for Statistical Computing)
    • Place of Presentation
      PACIFIC CONVENTION PLAZA YOKOHAMA
    • Year and Date
      2008-12-06
    • Related Report
      2008 Annual Research Report
  • [Presentation] ペイジアンネットワークによる化学物質の毒性発現評価システムの構築2008

    • Author(s)
      山口一歩, 岡田孝, 櫻谷祐企, 林真, 山添康
    • Organizer
      人工知能学会第72回人工知能基本問題研究会(SIG-FPAI)
    • Place of Presentation
      電気通信大学(東京)
    • Year and Date
      2008-11-08
    • Related Report
      2008 Final Research Report
  • [Presentation] ベイジアンネットワークによる化学物質の毒性発現評価システムの構築2008

    • Author(s)
      山ロ一歩
    • Organizer
      人工知能学会第72回人工知能基本問題研究会(SIG-FPAI)
    • Place of Presentation
      電気通信大学, 東京
    • Year and Date
      2008-11-08
    • Related Report
      2008 Annual Research Report
  • [Presentation] Human-computer collaborative recognition of the structure activity relationship2008

    • Author(s)
      Takashi OKADA
    • Organizer
      The 8th China-Japan Joint Symposium on Drug Design and Development
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-04
    • Related Report
      2008 Annual Research Report 2008 Final Research Report
  • [Presentation] Application of the TFS-Based Support Vector Machines to iirsilico Screening Strategy2008

    • Author(s)
      Kentaro kawai, Yoshimasa Takahashi
    • Organizer
      The 8th China-Japan Joint Symposium on Drug Design and Development
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-03
    • Related Report
      2008 Final Research Report
  • [Presentation] Application of the TFS-Based Support Vector Machines to in-silico Screening Strategy2008

    • Author(s)
      Kentaro kawai
    • Organizer
      The 8th China-Japan Joint Symposium on Drug Design and Development
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-03
    • Related Report
      2008 Annual Research Report
  • [Presentation] Analysis of Twenty-eight day Repeated Dose Toxicity TestData in Rats Using Cascade Model2008

    • Author(s)
      Norihito Ohmori, Sachio Mori, Hiroshi Horikawa, Masumi Yamakawa, Takashi Okada, Yuki Sakuradani, Makoto Hayashi
    • Organizer
      第36回構造活性相関シンポジウム
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-02
    • Related Report
      2008 Final Research Report
  • [Presentation] Toxicity Evaluation System for Chemical Compounds Based on Bayesian Net2008

    • Author(s)
      Kazuho YAMAGUCHI, Takashi OKADA, Yuki SAKURADANI, Makoto HAYASHI, Yasushi YAMAZOE
    • Organizer
      第36回構造活性相関シンポジウム
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-02
    • Related Report
      2008 Annual Research Report 2008 Final Research Report
  • [Presentation] Development of a Software Tool for Pharmacological Activity Prediction by using Collective SVM Models2008

    • Author(s)
      藤島悟志, 河合健太郎, 高橋由雅
    • Organizer
      第36回構造活性相関シンポジウム
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-02
    • Related Report
      2008 Annual Research Report 2008 Final Research Report
  • [Presentation] Analysis of Twenty-eight day Repeated Dose Toxicity Test Data in Rats Using Cascade Model2008

    • Author(s)
      Norihito Ohmori
    • Organizer
      第36回構造活性相関シンポジウム
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] Making a Relational Dictionary for NTG Removal Graph and Biological Action of Drug Molecules2008

    • Author(s)
      勝田隆弘
    • Organizer
      第36回構造活性相関シンポジウム
    • Place of Presentation
      神戸国際会議場
    • Year and Date
      2008-11-02
    • Related Report
      2008 Annual Research Report
  • [Presentation] On Feasibility of Graph Spectrum-based Frequent Sub-graph Mining2008

    • Author(s)
      Kouzou Ohara
    • Organizer
      The International Workshop on Data Mining and Statistical Science (DMSS2008)
    • Place of Presentation
      東京工業大学大岡山キャンパス
    • Year and Date
      2008-09-25
    • Related Report
      2008 Annual Research Report
  • [Presentation] Feasibility of Graph Sequence Mining based on Admissibility Constraints2008

    • Author(s)
      Akihiro Inokuchi
    • Organizer
      The International Workshop on Data Mining and statistical Science (DMSS2008)
    • Place of Presentation
      東京工業大学大岡山キャンパス
    • Year and Date
      2008-09-25
    • Related Report
      2008 Annual Research Report
  • [Presentation] Gomputational Identification of Antihyoertensive Drugs and their Types of Actionfrom Chemical Database Using TFS-Based Support Vector Machines2008

    • Author(s)
      Kentaro Kawai, Yoshimasa Takahashi
    • Organizer
      The 17th European Symposium on Quantitative Structure-Activity Relationships & Omics Technologies and Systems Biology (Euro-QSAR2008)
    • Place of Presentation
      Uppsala Concert & CongressHall, Uppsala, Sweden
    • Year and Date
      2008-09-23
    • Related Report
      2008 Final Research Report
  • [Presentation] Quick Mining for Molecular Graphs Based on Path Fragments Labeled by Hetero Atoms and Its Application to Structure-Activity Study2008

    • Author(s)
      Satoshi Fujishima, Yoshimasa Takahashi
    • Organizer
      The 17th Eurcpean Symposium on Quantitative Structure-Activity Relationships & Pmics Technologies and Systems Biology (Euro-QSAR2008)
    • Place of Presentation
      Uppsala Concert & CongressHall, Uppsala, Sweden
    • Year and Date
      2008-09-23
    • Related Report
      2008 Final Research Report
  • [Presentation] Computational Identification of Antihypertensive Drugs and their Types of Action from chemical Database Using TFS-Based Support Vector Machines2008

    • Author(s)
      Kentaro Kawai
    • Organizer
      The 17th European Symposium on Quantitative Structure-Activity Relationships & Qmics Technologies and Systems Biology (Euro-QSAR2008)
    • Place of Presentation
      Uppsala Concert & Congress Hall, Uppsala, Sweden
    • Year and Date
      2008-09-23
    • Related Report
      2008 Annual Research Report
  • [Presentation] Quick Mining for Molecular Graphs Based on Path Fragments Labeled by Hetero Atoms and Its Application to Structure-Activity Study2008

    • Author(s)
      Satoshi Fujishima
    • Organizer
      The 17th European Symposiun on Quantitative Structure-Activity Relationships & Qmics Technologies and Systems Biology (Euro-QSAR2008)
    • Place of Presentation
      Uppsala Concert&Congress Hall, Uppsala, Sweden
    • Year and Date
      2008-09-23
    • Related Report
      2008 Annual Research Report
  • [Presentation] グラフ系列マイニングのための表現制約とアルゴリズム2008

    • Author(s)
      猪口明博
    • Organizer
      第7回データマイニングと統計数理研究会(DMSM)
    • Place of Presentation
      小樽市民センター研修室
    • Year and Date
      2008-07-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] Making a structure-activity dictionary based on non-terminal vertex graph (NTG)2008

    • Author(s)
      Yoshimasa Takahashi, Kazusa Noto, Ryo Kuribayashi
    • Organizer
      Eighth International Conference on Mathematical Chemistry & Fifth Indo-US Workshop on Mathematical Chemistry
    • Place of Presentation
      Campus of the University of Minnesota Duluth (UMD), Duluth, Minnesota, USA
    • Year and Date
      2008-06-25
    • Related Report
      2008 Annual Research Report 2008 Final Research Report
  • [Presentation] Application of Molecular-Similarity Networks for Chemoinformatics Research2008

    • Author(s)
      Zsolt Lepp, Chunfei Huang, Takashi Okada
    • Organizer
      Strasbourg Summer School on Chemoinformatics : CheminfoS3
    • Place of Presentation
      VVFObernai, France
    • Year and Date
      2008-06-24
    • Related Report
      2008 Final Research Report
  • [Presentation] Application of Molecular-Similarity Networks for Chemoinformatics Research2008

    • Author(s)
      Zsolt Lepp
    • Organizer
      Strasbourg Summer School on Chemoinformatics : CheminfoS3
    • Place of Presentation
      VVF Obernai, France
    • Year and Date
      2008-06-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] 進化的プログラミングを用いた創薬候補化学構造の創出2008

    • Author(s)
      吉丸和孝
    • Organizer
      2008年度人工知能学会全国大会(第22回)
    • Place of Presentation
      ときわ市民ホール/勤労者福祉総合センター, 旭川
    • Year and Date
      2008-06-13
    • Related Report
      2008 Annual Research Report
  • [Presentation] グラフスペクトルを用いた大規模頻出部分グラフマイニング2008

    • Author(s)
      Nguyen Vinh duy
    • Organizer
      2008年度人工知能学会全国大会(第22回)
    • Place of Presentation
      ときわ市民ホール/勤労者福祉総合センター, 旭川
    • Year and Date
      2008-06-13
    • Related Report
      2008 Annual Research Report
  • [Presentation] 創薬候補構造設計のためのNTG知識ベースの開発2008

    • Author(s)
      能登上総
    • Organizer
      2008年度人工知能学会全国大会(第22回)
    • Place of Presentation
      ときわ市民ホール/勤労者福祉総合センター, 旭川
    • Year and Date
      2008-06-12
    • Related Report
      2008 Annual Research Report
  • [Presentation] PSD推定の適用範囲拡大と精度向上に関する研究2008

    • Author(s)
      グエンハホン
    • Organizer
      2008年度人工知能学会全国大会(第22回)
    • Place of Presentation
      ときわ市民ホール/勤労者福祉総合センター, 旭川
    • Year and Date
      2008-06-12
    • Related Report
      2008 Annual Research Report
  • [Presentation] Community Analysis of Influential Nodes for Information Diffusion on a Social Network2008

    • Author(s)
      M. Kimura
    • Organizer
      IEEE WorId Congress on Computational Intelligence
    • Place of Presentation
      Hong Kong Convention and Exhibition Centre, Hong Kong, China
    • Year and Date
      2008-06-05
    • Related Report
      2008 Annual Research Report
  • [Presentation] A Range Query Approach for High Dimensional Euclidean Space Based on EDM Estimation2008

    • Author(s)
      Kentarou Kido
    • Organizer
      2008SIAM Cinference on Data Mining
    • Place of Presentation
      Hyatt Regency Atlanta, Georgia, USA
    • Year and Date
      2008-04-24
    • Related Report
      2008 Annual Research Report
  • [Presentation] Modeling Bank Runs by Data Mining to Manage Financial Crisis2008

    • Author(s)
      Takashi Washio
    • Organizer
      The 5th International Confbrence of Socionetwork Strategies/The 2nd International Conference of Policy Grid Computing
    • Place of Presentation
      Kansai University Tokyo Center
    • Year and Date
      2008-03-18
    • Related Report
      2007 Annual Research Report
  • [Presentation] ヘテロ原子に注目したパスフラグメントによる分子グラフの簡易マイニング2008

    • Author(s)
      藤島悟志, 高橋由雅, 岡田孝
    • Organizer
      第6回データマイニングと統計数理研究会(SIG-DMSM)
    • Place of Presentation
      大阪大学中ノ島センター
    • Year and Date
      2008-02-29
    • Related Report
      2008 Final Research Report
  • [Presentation] グラフ系列からの頻出変化パターンの高速列挙法2008

    • Author(s)
      猪口明博, 鷲星隆
    • Organizer
      第6回データマイニングと統計数理研究会(SIG-DMSM)
    • Place of Presentation
      大阪大学中ノ島センター
    • Year and Date
      2008-02-28
    • Related Report
      2008 Final Research Report
  • [Presentation] 色素増感太陽電池における高効率色素構造の発見2007

    • Author(s)
      松本直久, 大森紀人, 岡田孝, 井上照久, 柴垣晃一郎
    • Organizer
      第30回情報化学討論会
    • Place of Presentation
      京都大学百周年時計台記念館
    • Year and Date
      2007-11-15
    • Related Report
      2008 Final Research Report 2007 Annual Research Report
  • [Presentation] モチーフ構造適合度マップの構築2007

    • Author(s)
      大村隆晴, 岡田孝, 藤島悟志
    • Organizer
      SAR2007第35回構造活性相関シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Year and Date
      2007-11-15
    • Related Report
      2008 Final Research Report 2007 Annual Research Report
  • [Presentation] セロトニンアンタゴニストの基本的活性構造抽出2007

    • Author(s)
      大森紀人, 森幸雄, 堀川袷志, 山川眞透, 岡田孝
    • Organizer
      SAR2007第35回構造活性相関シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Year and Date
      2007-11-15
    • Related Report
      2008 Final Research Report 2007 Annual Research Report
  • [Presentation] ドーパミンアンタゴニストの基本的活性構造抽出2007

    • Author(s)
      大森紀人, 森幸雄, 堀川袷志, 山川眞透, 岡田孝
    • Organizer
      SAR2007第35回構造活性相関シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Year and Date
      2007-11-15
    • Related Report
      2008 Final Research Report 2007 Annual Research Report
  • [Presentation] 活性構造知識ベース構築とそのソフトウェア基盤2007

    • Author(s)
      大森紀人, 藤島悟志, 森幸雄, 堀川袷志, 山川眞透
    • Organizer
      SAR2007第35回構造活性相関シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Year and Date
      2007-11-15
    • Related Report
      2008 Final Research Report 2007 Annual Research Report
  • [Presentation] 100クラスSVMによる薬物の活性クラス分類2007

    • Author(s)
      河合健太郎, 藤島悟志, 高橋由雅
    • Organizer
      SAR2007第35回構造活性相関シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Year and Date
      2007-11-15
    • Related Report
      2008 Final Research Report 2007 Annual Research Report
  • [Presentation] MST部分木を利用した類似空間検索と薬物構造データベース検索への応用2007

    • Author(s)
      熊谷 正雪
    • Organizer
      SAR2007第35回構造活性相関シンポジウム
    • Place of Presentation
      京都大学百周年時計台記念館
    • Year and Date
      2007-11-15
    • Related Report
      2007 Annual Research Report
  • [Presentation] Large PSD Matrix Estimation from Partial Elements2007

    • Author(s)
      Hiroshi Kuwajima
    • Organizer
      2007IEEE International Conference on Data Mining Workshops
    • Place of Presentation
      Econo Lodge in Omaha,NE,USA
    • Year and Date
      2007-10-28
    • Related Report
      2007 Annual Research Report
  • [Presentation] A Tool for Molecular Similarity Network2007

    • Author(s)
      Chunfei Hunang
    • Organizer
      日本コンピュータ化学会2007秋季年会
    • Place of Presentation
      イーグレひめじ
    • Year and Date
      2007-10-07
    • Related Report
      2007 Annual Research Report
  • [Presentation] カスケードモデルによる特徴的ルール導出 : 一般化と高速化(Fast computation of generalized characteristic rules in the cascade model)2007

    • Author(s)
      Yu Nakano, Takashi Okada
    • Organizer
      The International Workshop on Data-Mining and Statistical Science(DMSS2007)
    • Place of Presentation
      統計数理研究所(東京)
    • Year and Date
      2007-10-06
    • Related Report
      2008 Final Research Report
  • [Presentation] カスケードモデルによる特徴的ルール導出:一般化と高速化(Fast computation of generalized characteristic rules in the cascade model)2007

    • Author(s)
      Yu Nakano
    • Organizer
      The International Workshop on Data-Mining and Statistical Science(DMSS2007)
    • Place of Presentation
      統計数理研究所(東京)
    • Year and Date
      2007-10-06
    • Related Report
      2007 Annual Research Report
  • [Presentation] Fast PSD Matrix Estimation by Column Reductions2007

    • Author(s)
      Hiroshi Kuwajima
    • Organizer
      The International Workshop on Data-Mining and Statistical Science(DMSS2007)
    • Place of Presentation
      統計数理研究所(東京)
    • Year and Date
      2007-10-06
    • Related Report
      2007 Annual Research Report
  • [Presentation] Constructing Protein Networks Based on Molecular Fragments of Pharmacologically Active Ligands2007

    • Author(s)
      Zsolt Lepp, Chunfei Hunang, Takashi Okada
    • Organizer
      CBI学会2007年大会~量子化学・計算化学から生命へ
    • Place of Presentation
      広島大学(東広島キャンパス)
    • Year and Date
      2007-10-03
    • Related Report
      2008 Final Research Report
  • [Presentation] Constructing Protein Networks Based on Molecular Fragments of Pharmacologically Active Ligands2007

    • Author(s)
      Zsolt Lepp
    • Organizer
      CBI学会2007年大会〜量子化学・計算化学から生命へ
    • Place of Presentation
      広島大学(東広島キャンパス)
    • Year and Date
      2007-10-03
    • Related Report
      2007 Annual Research Report
  • [Presentation] Phrmacophore Identification by Data Milling2007

    • Author(s)
      Takashi Okada, Masumi Yamakawa, Satoshi Fuiishima, Norito Ohmori
    • Organizer
      Fourth International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2007)
    • Place of Presentation
      Moscow, Russia
    • Year and Date
      2007-09-05
    • Related Report
      2008 Final Research Report
  • [Presentation] Phrmacophore Identification by Data Mining2007

    • Author(s)
      Takashi Okada
    • Organizer
      Fourth International Symposium on Comutational Methods in Toxicology and Pharmaclogy Integrating Intenet Resources(CMTPI-2007)
    • Place of Presentation
      Moscow,Russia
    • Year and Date
      2007-09-05
    • Related Report
      2007 Annual Research Report
  • [Presentation] DIGDAG,a first algorithm to mine closed frequent embedded sub-DAGs2007

    • Author(s)
      Alexandre Termier
    • Organizer
      The 5th International Workshop on Mining and Learning with Graphs
    • Place of Presentation
      University degli Studi di Firenze,Italy
    • Year and Date
      2007-08-01
    • Related Report
      2007 Annual Research Report
  • [Presentation] ヘテロ原子に注目したパスフラグメントによる化学構造データマイニング2007

    • Author(s)
      藤島悟志, 高橋由雅, 岡田孝
    • Organizer
      2007年度人工知能学会全国大会(第21回)
    • Place of Presentation
      ワールドコンベンションセンターサミット, 宮崎
    • Year and Date
      2007-06-22
    • Related Report
      2008 Final Research Report
  • [Presentation] ヘテロ原子に注目したパスフラグメントによる化学構造データマイニング2007

    • Author(s)
      藤島 悟志
    • Organizer
      2007年度人工知能学会全国大会(第21回)
    • Place of Presentation
      ワールドコンベンションセンターサミット,宮崎
    • Year and Date
      2007-06-22
    • Related Report
      2007 Annual Research Report
  • [Presentation] 構造類似性に基づくActive QSARモデリング2007

    • Author(s)
      西野 達也
    • Organizer
      2007年度人工知能学会全国大会(第21回)
    • Place of Presentation
      ワールドコンベンションセンターサミット,宮崎
    • Year and Date
      2007-06-22
    • Related Report
      2007 Annual Research Report
  • [Presentation] 多クラスSVMを用いた薬物の活性予測システム2007

    • Author(s)
      河合 健太郎
    • Organizer
      2007年度人工知能学会全国大会(第21回)
    • Place of Presentation
      ワールドコンベンションセンターサミット,宮崎
    • Year and Date
      2007-06-22
    • Related Report
      2007 Annual Research Report
  • [Book] 21世紀の統計科学-自然・生物・健康の統計科学-グラフマイニングとその統計的モデリング-の応用第10章2008

    • Author(s)
      国友直人, 山本拓(監修), 小西貞則, 国友直人(編), 鷲星隆, 他(共著)
    • Total Pages
      358
    • Publisher
      東京大学出版会
    • Related Report
      2008 Final Research Report
  • [Book] パターン認識と機械学習 下(C.M.Bishop : Pattern Recognition and Machine Learningの日本語訳)2008

    • Author(s)
      元田浩, 栗田多喜夫, 樋口知之, 松本裕治, 村田昇(監訳)
    • Total Pages
      433
    • Publisher
      Springerジャパン
    • Related Report
      2008 Final Research Report
  • [Book] Applications of Data Mining in E-Business and Finance, Frontiers in Artificial Intelligence and Applications, No. 1772008

    • Author(s)
      Carlos Soares (editor)
    • Total Pages
      120
    • Publisher
      IOS Press
    • Related Report
      2008 Annual Research Report
  • [Book] Advances in Knowledge Discovery and Data Mining, Proc. of 12th Pacific-Asia Conference of Knowledge Discovery and Data Mining, PAKDD2008, LNCS, LNAI50122008

    • Author(s)
      Takashi Washio (editor)
    • Total Pages
      1099
    • Publisher
      Springer
    • Related Report
      2008 Annual Research Report
  • [Book] グラフマイニングとその統計的モデリングへの応用第10章, 21世紀の統計科学-自然・生物・健康の統計科学-2008

    • Author(s)
      鷲尾隆, 他
    • Total Pages
      358
    • Publisher
      東京大学出版会
    • Related Report
      2008 Annual Research Report
  • [Book] パターン認識と機械学習 上(C.M.Bishop : Pattern Recognition and Machine Learningの日本語訳)2007

    • Author(s)
      元田浩, 栗田多喜夫, 樋口知之, 松本裕治, 村田昇(監訳)
    • Total Pages
      349
    • Publisher
      Springerジャパン
    • Related Report
      2008 Final Research Report
  • [Book] Computational Methods of Feature Selection (Chapman & Hall/crc Data Mining and Knowledge Discovery Series)2007

    • Author(s)
      Liu, Huan, Hiroshi Motoda (Ed)
    • Total Pages
      440
    • Publisher
      Chapman & Hall
    • Related Report
      2008 Final Research Report
  • [Book] Advanced Engineering Informatics, Issue3, Vol.21, Special Issue: Applications eligible for data mining2007

    • Author(s)
      J. C. Kunz, I. F. C. Smith, T. Tomiyama (Ed.), Takashi Washio(Special Issue Editor)
    • Total Pages
      101
    • Publisher
      Elsevier, Ltd.
    • Related Report
      2008 Final Research Report
  • [Book] Emerging Technologies in Knowledge Discovery and Data Mining2007

    • Author(s)
      Washio, T.
    • Total Pages
      675
    • Publisher
      Springer-Verlag New York Inc.
    • Related Report
      2007 Annual Research Report
  • [Book] パターン認識と機械学習上, CM.Bishop:Pattern Recognition and Machine Learning, Springer(2006)の日本語訳2007

    • Author(s)
      元田 浩(監訳)
    • Total Pages
      349
    • Publisher
      Springer Japan
    • Related Report
      2007 Annual Research Report
  • [Book] Computational Methods of Feature Selection, Chapman&Hall/crc Data Mining and Knowledge Discovery Series, -US2007

    • Author(s)
      Liu, Huan(EDT)
    • Total Pages
      419
    • Publisher
      Chapman&Hall
    • Related Report
      2007 Annual Research Report
  • [Book] Applications eligible for data mining, Advanced Engineering Informatics, Issue3, (Vol.21)2007

    • Author(s)
      Takashi Washio
    • Total Pages
      107
    • Publisher
      Elsevier,Ltd.
    • Related Report
      2007 Annual Research Report
  • [Book] Mining from Chemical Graphs, Chap. 14, PartIII APPLICATIONS : Mining from Chemical Graphs2006

    • Author(s)
      D. J. Cook, L. B. Holder (Ed.), Takashi Qkada (Chap. 14, PartIII APPLICATIONS, Ed)
    • Total Pages
      480
    • Publisher
      Wiley-nterscience A John Wiley & Sons, Inc.
    • Related Report
      2008 Final Research Report
  • [Book] Mining Graph Data2006

    • Author(s)
      Takashi Okada (D.J.Cook, L..B.Holder Ed.)
    • Total Pages
      480
    • Publisher
      Wiley - Interscience A John Wiley & Sons, Inc., Publication
    • Related Report
      2006 Annual Research Report
  • [Remarks] BASiC知識ベース : 以下のURLで公開された知識ベースが本研究成果の中核をなすものである

    • URL

      http://www.dm-lab.ws/BASiC/

    • Related Report
      2008 Final Research Report
  • [Remarks] webサイト:「BASiC」

    • URL

      http://www.dm-lab.ws/BASiC/

    • Related Report
      2008 Annual Research Report
  • [Remarks]

    • URL

      http://www.dm-Iab.ws/www/gyouseki.htm

    • Related Report
      2007 Annual Research Report

URL: 

Published: 2006-04-01   Modified: 2016-04-21  

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