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Chemoinformatics: A Textbook
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Chemoinformatics: A Textbook Hardcover - 2003 - 1st Edition

by Johann Gasteiger (Editor); Thomas Engel (Editor)


From the publisher

In der Chemoinformatik geht es um die Anwendung computergesttzter Methoden bei der Suche nach Strukturen, der Interpretation von Spektren sowie der Vorhersage chemischer Eigenschaften und molekularer Strukturen. Das Lehrbuch wendet sich an Studenten und ist als Ergnzung zum vierbndigen Handbook of Chemoinformatics konzipiert, dem aktuellen und umfassendsten Lehrwerk in diesem Fachgebiet. Die Fachleute sind sich einig: Die Chemoinformatik wird die Denk- und Arbeitsweise der Chemiker von Grund auf revolutionieren. Damit diese Entwicklung auch in Ausbildung und Praxis entsprechend begleitet und nachvollzogen werden kann, gibt es jetzt das Handbook of Chemoinformatics sowie das dazugehrige Textbook. Mitherausgeber Johann Gasteiger ist Leiter des Computer-Chemie-Zentrums der Universitt Erlangen-Nrnberg und er ist der Fachmann auf diesem Gebiet schlechthin. Gemeinsam mit Thomas Engel - Mitglied in Gasteigers Forschungsgruppe und ebenfalls Chemoinformatik-Experte - legt er mit dem Textbook ein klar strukturiertes und didaktisch brillantes Lehrwerk zur Chemoinformatik vor. Behandelt werden unter anderem die Reprsentation dreidimensionaler Strukturen und chemischer Reaktionen. Au erdem wird der Leser umfassend ber einschlgige Datenbanken sowie ber "Chemie im Internet" und ber Suchmethoden informieren. Weitere Themen sind Methoden zur Datenanalyse, die Vorhersage chemischer und physikalischer Eigenschaften, das Verhltnis von Chemo- und Bioinformatik sowie mgliche zuknftige Entwicklungen in der Chemoinformatik.

First line

Chemoinformatics is a fairly new name for a discipline that, as we shall soon see, has been around for quite a while.

From the rear cover

The new discipline of chemoinformatics covers the application of computer-assisted methods to chemical problems such as information storage and retrieval, the prediction of physical, chemical or biological properties of compounds, spectra simulation, structure elucidation, reaction modeling, synthesis planning and drug design. The first work to be devoted entirely to this increasingly important field, the "Textbook" provides both an in-depth and comprehensive overview of this exciting new area. Both newcomers and advanced users as well as lecturers will find here a profound and comprehensive overview of this increasingly important field.

Edited by Johann Gasteiger and Thomas Engel (University of Erlangen-Nuremberg, Germany), the "Textbook" provides an introduction to the representation of molecular structures and reactions, data types and databases/data sources, search methods, methods for data analysis as well as such applications as structure elucidation, reaction simulation, synthesis planning and drug design. A "hands on" approach with step-by-step tutorials and detailed descrip tions of software tools and Internet resources allows easy access for beginners as well as for experienced users.

For more detailed presentation, users are referred to the "Handbook of Chemoinformatics", which will be published separately.

Details

  • Title Chemoinformatics: A Textbook
  • Author Johann Gasteiger (Editor); Thomas Engel (Editor)
  • Binding Hardcover
  • Edition number 1st
  • Edition 1
  • Pages 680
  • Volumes 1
  • Language ENG
  • Publisher Wiley-Vch
  • Date 2003-11-07
  • ISBN 9783527306817 / 3527306811
  • Weight 3.13 lbs (1.42 kg)
  • Dimensions 9.56 x 6.94 x 1.57 in (24.28 x 17.63 x 3.99 cm)
  • Library of Congress Catalog Number 2004296249
  • Dewey Decimal Code 615.190

About the author

Johann Gasteiger is the recipient of the 1991 Gmelin-Beilstein Medal of the German Chemical Society of Achievements in Computer Chemistry and the Herman Skolnik Award of the Division of Chemical Information of the American Chemical Society (ACS) in 1997.

Thomas Engel joined the research group headed by Johann Gasteiger at the University of Erlangen-Nuremberg and is specialist in chemoinformatics.

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