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Database and Knowledge Base Integration for Chemical Reaction Process Design

Research Project

Project/Area Number 63880006
Research Category

Grant-in-Aid for Developmental Scientific Research (B).

Allocation TypeSingle-year Grants
Research Field Informatics
Research InstitutionThe University of Tsukuba

Principal Investigator

FUJIWARA Yuzuru  Inst. of Elec. & Info. Sci., Univ. of Tsukuba, Professor, 電子情報工学系, 教授 (40110473)

Co-Investigator(Kenkyū-buntansha) TAKAHASHI Yasuaki  Dept. of CTS. Toppan Printing Co. LTD., Director, 部長
YAMAGUCHI Kazunori  Inst. of Elec. & Info. Sci., Univ. of Tsukuba, Assis. Prof., 電子情報工学系, 講師 (80158097)
KITAGAWA Hiroyuki  Inst. of Elec. & Info. Sci., Univ. of Tsukuba. Assoc. Prof., 電子情報工学系, 助教授 (00204876)
OHBO Nobuo  Inst. of Elec. & Info. Sci., Univ. of Tsukuba, Assoc. Prof., 電子情報工学系, 助教授 (20011661)
SUZUKI Isao  Inst. of Elec. & Info. Sci., Univ. of Tsukuba. Prof., 電子情報工学系, 教授 (80011550)
畑田 耕一  大阪大学, 基礎工学部, 教授 (60029402)
Project Period (FY) 1988 – 1990
Project Status Completed (Fiscal Year 1990)
Budget Amount *help
¥21,500,000 (Direct Cost: ¥21,500,000)
Fiscal Year 1990: ¥5,900,000 (Direct Cost: ¥5,900,000)
Fiscal Year 1989: ¥8,200,000 (Direct Cost: ¥8,200,000)
Fiscal Year 1988: ¥7,400,000 (Direct Cost: ¥7,400,000)
KeywordsReaction process design / Organic Syntheses / CORES / BCT / Hypertext / CHARM / Know / CD-ROM / 反応設計デ-タベ-ス / 化学反応デ-タベ-ス / ル-ル・ベ-ス / Xwindow / ル-ル・べ-ス / CD-ROM / X window / 反応設計支援システム / 化学反応データベース / 化学反応知識ベース / データベース・知識ベース統合システム
Research Abstract

The main results of this project are the prototype development of the reaction process design for chemical compounds. As a part of the development, we have developed the large factual database CORES, knowledge extraction scheme from the factual database, chemical structure database system CHARM, and the integration scheme for the Organic Syntheses documents and the databases.
(1) We have implemented the prototype system CORES on the CD-ROM, which is consisting of the Organic Syntheses 64 volumes. We have developed the retrieval program for the chemical reaction factual databases, the chemical compound visualization system, scheme for the automatic knowledge extraction from the factual databases, and the reaction knowledge base based on the extracted knowledge.
(2) We have developed the prototype chemical structure database system CHARM. In CHARM, the chemical compound was decomposed into the BCT (Block Cut Tree) representation and the representation is supported by the ADT (Abstract Data Type) facility of the extended relational database system.
(3) We have developed the scheme for the integration of the hypertext representation of the Organic Synthesis document and the extended relational databases CORES and CHARM. We introduced the correlation which relates a node in a hypertext and a field in a typle. The correlation enables us to utilize the information in the relations from the hypertext and vise virsa. We also illustrated that automatic link generation utilizing the knowledge represented in the relations is possible in some cases.

Report

(4 results)
  • 1990 Annual Research Report   Final Research Report Summary
  • 1989 Annual Research Report
  • 1988 Annual Research Report
  • Research Products

    (22 results)

All Other

All Publications (22 results)

  • [Publications] 井上、藤原他: "有機合成反応設計支援反応デ-タベ-スシステムCORESの開発" 情報化学討論会論文集. 13. 13-16 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] K.Yajima,H.Kitagawa,K.Yamaguchi,N.Ohbo,Y.Fujiwara: "Optimization Queries Including ADT Functions" Proc.of DASFAA '91. (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Y.Fujiwara,N.Ohbo,H.Kitagawa,K.Yamguchi: "The Information Base Systems for Materials Research" Proc.12th CODATA. (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Y.Q.Luan,N.Ohbo H.Kitagawa,Y.Fujiwara: "Functional Approach to Chemical Structure Databases" Proc.of lst DASFAA. 52-61 (1989)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Y.Fujiwara,Y.Q.Luan,K.Yamaguchi,N.Ohbo,H.Kitagawa: "Representation and a Model of Chemical Information with Generic Hierarchy." Proc.of InfoJapan '90. 62-69 (1990)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] 王、山口、北川、大保、藤原: "コリレ-ションによるハイパ-テキストとデ-タベ-スの統合" 情報処理学会第42回全国大会予稿集. (1991)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Ishizuka: "Development of the Reaction Database System CORES for Supporting Organic Synthesis Process Design (in Japanese)," (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] K. Yajima, H. Kitagawa, K. Yamaguchi, N. Ohbo, Y. Fujiwara: "Optimization of Queries Including ADT Functions," Proc. of DASFAA'90 T Functions, Proc. of DASFAA'91. (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Y. Fujiwara, N. Ohbo, H. Kitagawa, K. Yamaguchi: "The Information Base Systems for Material Research," Proc. of 12th CODATA. (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Y. Q. Luan, N. Ohbo, H. Kitagawa, Y. Fujiwara: "Functional Approach to Chemical Structure Databases," Proc. of lst DASFAA'90. 52-61 (1989)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Y. Fujiwara, Y. Q. Luan, K. Yamaguchi, N. Ohbo, H. Kitagawa: "Representation and a Model of Chemical Information with Generic Hierarchy," Proc. of Information of Japan'90,. 62-69 (1990)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Wang, Yamaguchi, Kitagawa, Ohbo, Fujiwara: "The Integration of Hypertext and Relational Database based on the Correlation Concept(in Japanese)," Proc. of the 42th Information Processing Conference. (1991)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1990 Final Research Report Summary
  • [Publications] Y.Fujiwara,Y.Q.Luan K.Yamaguchi,N.Ohbo H.Kitagawa: "Representation and a Model of Chemical Information with Generic Hierarchy." Proc.INFOJAPAN 90. (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] 中田、山口、北川 大保、藤原: "ハイパ-テキストとデ-タベ-スの統合化" 情報処理学会第40回全国大会予稿集. (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] 井上、藤原、他: "有機合成反応設計支援反応デ-タベ-スシステムCORESの開発" 情報化学討論会論文集. 13. 13-16 (1990)

    • Related Report
      1990 Annual Research Report
  • [Publications] 王、山口、北川 大保、藤原: "コリレ-ションによるハイパ-テキストと関係デ-タベ-スの統合" 情報処理学会第42回全国大会予稿集. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] K.Yajima,H.Kitagawa K.Yamaguchi,N.Ohbo Y.Fujiwara: "Optimization Queries Including ADT Functions" Proc.of DASFAA '91. (1991)

    • Related Report
      1990 Annual Research Report
  • [Publications] Y.Q.Luan,N.Ohbo,H.Kitagawa,Y.Fujiwara: "Functional Approach to Chemical Structure Databases" International Symposium on Database Systems for Advanced Applications. 1989. 80-89

    • Related Report
      1989 Annual Research Report
  • [Publications] Shi Jie Jiang,H.Kitagawa,N.Ohbo,I.Suzuki,Y.Fujiwara: "Abstract Data Types in Graphic Databases" IFIF TC-2 Working Conference on Visual Databases. 1989. 239-255

    • Related Report
      1989 Annual Research Report
  • [Publications] H.Kitagawa,N.Ohbo: "Design Data Modeling with Versioned Conceptual Configuration" COMPSAC 89. 1989. 225-233

    • Related Report
      1989 Annual Research Report
  • [Publications] Y.Q.Luan;N.Ohbo;H.Kitagawa;Y.Fujiwara: International Symposium on Database Systems for Advanced Applications. (1989)

    • Related Report
      1988 Annual Research Report
  • [Publications] Shi-Jic Jiang;H.Kitagawa;N.Ohbo;I.Suzuki;Y.Fujiwara: IFIP TC-2 Working Conference on Visual Database Systems. (1989)

    • Related Report
      1988 Annual Research Report

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Published: 1988-04-01   Modified: 2016-04-21  

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