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Synthon Model of Organic Chemistry and Synthesis Design

  • Book
  • © 1989

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Authors:
  1. J. Koča

    1. Department of Organic Chemistry, J.E. Purkyně University, Brno, Czechoslovakia

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  2. M. Kratochvíl

    1. Research Institute of Pure Chemicals, Lachema, Brno, Czechoslovakia

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  3. L. Matyska

    1. Research Institute of Pure Chemicals, Lachema, Brno, Czechoslovakia

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  4. V. Kvasnička

    1. Department of Mathematics, Slovak Technical University, Bratislava, Czechoslovakia

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  5. J. Pospíchal

    1. Department of Mathematics, Slovak Technical University, Bratislava, Czechoslovakia

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Part of the book series: Lecture Notes in Chemistry (LNC, volume 51)

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Table of contents (7 chapters)

  1. Front Matter

    Pages N2-VI
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  2. Introduction

    • J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal
    Pages 1-3

  3. The Molecular Graphs

    • J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal
    Pages 4-43

  4. S-Graphs and Synthons

    • J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal
    Pages 44-72

  5. The Applied Synthon Model

    • J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal
    Pages 73-85

  6. Mathematical Model of Synthon Reactions

    • J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal
    Pages 86-136

  7. The Synthon Model and Organic Synthesis

    • J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal
    Pages 137-197

  8. Conclusions

    • J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal
    Pages 198-199

  9. Back Matter

    Pages 200-209
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Keywords

About this book

One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design. These lecture notes elaborate the mathematical model of organic chemistry, which offers formal concepts for unambiguous description of computer algorithms for organic synthesis design including retrosynthesis and reaction mechanisms. All definitions and theorems are supplemented by many illustrative examples. The model is closely related to the course of thinking of organic chemists. These notes will be useful for all theoretically oriented organic chemists who are interested in mathematical modelling of organic chemistry and computer-assisted organic synthesis design.

Authors and Affiliations

  • Department of Organic Chemistry, J.E. Purkyně University, Brno, Czechoslovakia

    J. Koča

  • Research Institute of Pure Chemicals, Lachema, Brno, Czechoslovakia

    M. Kratochvíl, L. Matyska

  • Department of Mathematics, Slovak Technical University, Bratislava, Czechoslovakia

    V. Kvasnička, J. Pospíchal

Bibliographic Information

  • Book Title: Synthon Model of Organic Chemistry and Synthesis Design

  • Authors: J. Koča, M. Kratochvíl, L. Matyska, V. Kvasnička, J. Pospíchal

  • Series Title: Lecture Notes in Chemistry

  • DOI: https://doi.org/10.1007/978-3-642-93416-2

  • Publisher: Springer Berlin, Heidelberg

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer-Verlag Berlin Heidelberg 1989

  • Softcover ISBN: 978-3-540-50932-5Published: 22 March 1989

  • eBook ISBN: 978-3-642-93416-2Published: 06 December 2012

  • Series ISSN: 0342-4901

  • Series E-ISSN: 2192-6603

  • Edition Number: 1

  • Number of Pages: VI, 207

  • Topics: Theoretical and Computational Chemistry, Organic Chemistry

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