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Studies on Systems for Internet Communication of Chemical Documents Containing Structural Formulas and Reaction Schemes.

Research Project

Project/Area Number 14380178
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field 情報システム学(含情報図書館学)
Research InstitutionKyoto Institute of Technology

Principal Investigator

FUJITA Shinsaku  Kyoto Institute of Technology, Professor, 工芸学部・物質工学科, 教授 (60293982)

Project Period (FY) 2002 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥9,300,000 (Direct Cost: ¥9,300,000)
Fiscal Year 2004: ¥3,100,000 (Direct Cost: ¥3,100,000)
Fiscal Year 2003: ¥2,800,000 (Direct Cost: ¥2,800,000)
Fiscal Year 2002: ¥3,400,000 (Direct Cost: ¥3,400,000)
KeywordsXyMTeX / Post Script / PDF / LaTeX / structural Formula / XyM notation / Post Script / LaTex / XyMJava / XyMML / スタイルファイル
Research Abstract

This project has been devoted to studies on systems for internet communication of chemical documents containing structural formulas and reaction schemes. In addition to this subject, the system has also intended to cover conventional documentation fields such as printing. The XyM notation and XyMML(XyM Markup Language) developed by the head investigator have been adopted as basic computer representations of structural formulas after extensive modifications. Thus, the XyM notation has been reinforced by adding macros for treating stereochemistry and related matters. A system named XyMJava has been developed to display structural formulas on CRT displays by means of an HTML document containing XyM-notation codes. The specification of XyMML has been changed from an SGML-dependent format to an XML-dependent format, so that XyMML codes can be displayed by internet browsers. Thus, XyMML codes in an XML document are converted into XyM-notation codes embedded in an HTML document, which is manipulated by XyMJava to display structural formulas. To convert XyM-notation codes into connection tables, the XyM2Mol system has been developed. Thereby, XyM-notation codes can be used as input devices to various chemical applications which support connection tables. The XyMTeX2PS system (distributed as XyMTeX Version 4.02) has been developed to convert a LaTeX document containing XyM-notation codes into a PDF document via a PostScript document. To spread XyMTeX, the head investigator has published an introductory book on XyMTeX and LaTeX(S.Fujita, "A LaTeX2e Command Book", Softbank Publishers, 2003). To confirm the versatility of XyMTeX and XyMTeX2PS in publication, a monograph written by the head investigator (S.Fujita, "Organic Chemistry Photography", Springer Verlag, 2004) has been published, where all of the structural formulas have been typeset by XyMTeX2PS.

Report

(4 results)
  • 2004 Annual Research Report   Final Research Report Summary
  • 2003 Annual Research Report
  • 2002 Annual Research Report
  • Research Products

    (30 results)

All 2005 2004 2003 2002 Other

All Journal Article (14 results) Book (4 results) Publications (12 results)

  • [Journal Article] Development of XyMTeX2PS for the PostScript Typesetting of Chemical Documents Containing Structural Formula2005

    • Author(s)
      Shinsaku Fijita
    • Journal Title

      J.Comput.Chem.Jpn. 4

      Pages: 69-78

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Development and Application of XyM2Mol System for Converting Structural Data by XyM Notation into Connection Tables2005

    • Author(s)
      K.Ito, N.Tanaka, S Fujita
    • Journal Title

      J.Comput.Chem.Jpn. 4

      Pages: 79-88

    • NAID

      10016455370

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Stereogenicity Revisited. Proposal of Holantimers for Comprehending the Relationship Between Stereogenicity and Chirality2004

    • Author(s)
      S.Fujita
    • Journal Title

      J.Org.Chem. 69

      Pages: 3158-3165

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Group-Theoretical Discussion on the E/Z-Nomenclature for Ethylene Derivatives. Discrimination Between RS-Stereoisomeric Groups and Stereoisomeric Groups2004

    • Author(s)
      S.Fujita
    • Journal Title

      J.Chem.Inf.Comput.Sci. 44

      Pages: 1719-1726

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Stereogenicity Revisited. Proposal of Holantimers for Comprehending the Relationship Between Stereogenicity and Chirality2004

    • Author(s)
      Shinsaku Fujita
    • Journal Title

      J.Org.Chem. 69

      Pages: 3158-3165

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Stereogenicity Revisited. Proposal of Holantimers for Comprehending the Relationship Between Stereogenicity and Chirality2004

    • Author(s)
      Shinsaku Fujita
    • Journal Title

      J.Comput.Chem.Jpn. 3

      Pages: 113-120

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Group-Theoretical Discussion on the E/Z-Nomenclature for Ethylene Derivatives. Discrimination Between RS-Stereoisomeric Groups and Stereoisomeric Groups.2004

    • Author(s)
      Shinsaku Fujita
    • Journal Title

      J.Chem.Inf.Comput.Sci. 44

      Pages: 1719-1726

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Pseudoasymmetry, Stereogenicity, and the RS-Nomenclature Comprehended by the Concepts of Holantimers and Stereoisograms2004

    • Author(s)
      Shinsaku Fijita
    • Journal Title

      Tetrahedron 60

      Pages: 11629-11638

    • Related Report
      2004 Annual Research Report
  • [Journal Article] XyMJava System for Word Wide Web Communication of Organic Chemical Structures2002

    • Author(s)
      N.Tanaka, S.Fujita
    • Journal Title

      J.Computer Aided Chem. 3

      Pages: 37-47

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] WWW (World Wide Web) Communication and Publishing of Structural Formulas by XyMML (XyM Markup Language)2002

    • Author(s)
      N.Tanaka, T.Ishimaru, S.Fujita
    • Journal Title

      J.Computer Aided Chem. 3

      Pages: 81-89

    • NAID

      130004927296

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Deveopment of XyMTeX2PS for the PostScript Typesetting of Chemical Documents Containing Structural Formula

    • Author(s)
      S.Fujita
    • Journal Title

      J.Comput.Chem.Jpn (印刷中)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Development and Application of XyM2Mol System for Converting Structural Data by XyM Notation into Connection Tables

    • Author(s)
      S.Ito, N.Tanaka, S.Fujita
    • Journal Title

      J.Comput.Chem.Jpan (印刷中)

    • NAID

      10016455370

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Development of XyMTeX2PS for the PostScript Typesetting of Chemical Documentations Containing Structural Formulas

    • Author(s)
      S.Fujita
    • Journal Title

      J.Comput.Chem.Jpn. (in press)

    • NAID

      10016455349

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Development and Applications of XyM2Mol System for Converting Structural Data by XyM Notation into Connection Tables

    • Author(s)
      K.Ito, N.Tanaka, S.Fujita
    • Journal Title

      J.Comput.Chem.Jpn. (in press)

    • NAID

      10016455370

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] Organic Chemistry of Photography(the sole author, in English)2004

    • Author(s)
      Shinsaku Fujita
    • Publisher
      Springer-Verlag, Heidelberg-Berlin
    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] Organic Chemistry of Photography2004

    • Author(s)
      Shinsaku Fujita
    • Total Pages
      587
    • Publisher
      Springer-Verlag
    • Related Report
      2004 Annual Research Report
  • [Book] LaTeX2eコマンドブック2003

    • Author(s)
      藤田眞作
    • Total Pages
      616
    • Publisher
      ソフトバンクパブリッシャー
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] A LaTeX2e Command Book(the sole author, in Japanese)2003

    • Author(s)
      Shinsaku Fujita
    • Publisher
      Softbank Publisher, Tokyo
    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Publications] Shinsaku Fujita: "Stereogenicity/Astereogenicity as Global/Local Permutation-Group Symmetry and Relevant Concepts for Restructuring Stereochemistry"J.Math.Chem.. 33. 113-143 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Shinsaku Fujita: "Stereogenicity Revisited. Proposal of Holantimers for Comprehending the Relationship between …"J.Org.Chem.. (in press).

    • Related Report
      2003 Annual Research Report
  • [Publications] 藤田 眞作: "情報化学教育-物質工学科でのとりくみ"CICSJ Bulletin. 21・3. 68-69 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 藤田眞作, 田中伸也: "化学構造の原型表現XyM Notationと化学マークアップ言語XyMMLを中核とする化学コミューニケーション"人工知能学会研究会資料 SIG-KBS. A304. 177-182 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Shinsaku Fujita: "Organic Chemistry of Photography"Springer-Verlag(印刷中). 587

    • Related Report
      2003 Annual Research Report
  • [Publications] Nobuya Tanaka, Shinsaku Fujita: "XyMJava System for world wide web communication of Organic Chemical Structures"J. Computer Aided Chem.. 3. 37-47 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Shinsaku Fujita: "Chirality and Stereogenicity for Allene Derivatives. Observance and Violation of Chirality Fittingness"Bull. Chem. Soc. Japan. 75. 1949-1962 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Nobuya Tanaka, Tsutomu Ishimara, Shinsaku Fujita: "WWW (World Wide Web) Communication and Publishing of Structural Formulas by XyMML"J. Computer Aided Chem.. 3. 81-89 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Shinsaku Fujita: "Chirality and Stereogenicity for Square-Planar Complexes"Helv. Chim. Acta. 85. 2440-2457 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Shinsaku Fujita: "Prochirality Revisited. An Approach for Restructuring Stereo chemistry by Novel Terminology"J. Org. Chem.. 67. 6055-6063 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Shinsaku Fujita: "Enantiomeric and Diastereomeric Relationships of Ethylene Dereratives Restructuring Stereo chemistry"J. Math. Chem.. 32. 1-17 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] 藤田眞作: "LaTeX2εコマンドブック"ソフトバンクハブリッシング株式会社. xvi+616 (2002)

    • Related Report
      2002 Annual Research Report

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Published: 2002-04-01   Modified: 2016-04-21  

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