Chemoinformatics: A Textbook-Wow! eBook

Chemoinformatics: A Textbook book cover

Chemoinformatics: A Textbook

Author(s): Johann Gasteiger (Editor), Thomas Engel

Publisher: Wiley-VCH
Publication Date: November 14, 2003
Edition: 1st
Language: English
Print length: 680 pages
ISBN-10: 3527306811
ISBN-13: 9783527306817

Book Description

This 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.
Edited by Johann Gasteiger and Thomas Engel, the book 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 descriptions of software tools and Internet resources allows easy access for newcomers, advanced users and lecturers alike.
For a more detailed presentation, users are referred to the “Handbook of Chemoinformatics”, which will be published separately.

Johann Gasteiger is the recipient of the 1991 Gmelin-Beilstein Medal of the German Chemical Society for 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 a specialist in chemoinformatics.

Editorial Reviews

Review

“The Handbook of Chemoinformatics is the first reference work to be exclusively devoted to this developing field from data to knowledge, and will set the standard as the premier information source for the next decade. This handbook is a must read for experts as well as students of chemistry and biology…rich in content…should find a place in every chemoinformaticians desk and every university library in the world…”

M. Karthikeyan of the Digital Information Resource Center, National Chemical Laboratory, Pune, India
www.review.molecularsociety.org, 18 June 2004

“…certainly fills an empty niche…well written…the referencing and provided links are an excellent resource…” (Journal of Chemoetrics, Vol.18, No.6 June 2004)

“…certainly fills an empty niche…well written…the referencing and provided links are an excellent resource…”

Journal of Chemoetrics, Vol.18, No.6 June 2004

“Das vorliegende Buch kann jedem Einsteiger genauso wie jedem Profi empfohlen werden, der sich für dieses spannende und sich rasant entwickelnde Fachgebiet der Chemie interessiert.”
Nachrichten aus der Chemie

Erwähnung in: Laborpraxis 5/04

“Was fehlt diesem Buch? Eigentlich nur bundesweit ein eigener Studiengang, denn es ist das passende Lehrbuch dazu. Fazit? Durchgängig bestätigt sich, dass das Buch für einen heterogenen Leserkreis geeignet ist: Notwendige Grundlagen werden eingeführt, wesentliche Modelle mit Beispielen erklärt und auf neueste Software wird eingegangen. Ich hatte nie den Eindruck, (vollkommen) verloren zu sein. Ein Buch, mit dem man gerne arbeitet, das einen motiviert – ein gutes Lehrbuch eben.”
Mark Krüger; Student Mathematik mit Nebenfach Bioinformatik, Universität Frankfurt/Main
Uni-Online

“…es ist eine hervorragende Zusammenstellung der Möglichkeiten, die es im chemischen Bereich der Datenanalyse gibt.”
Herbert Pöllmann

Abstract
Technometrics, August 2004

Der Aufschluss

“Das umfasende Buch ist rundherum für Fachleute zu empfehlen, es sollte in Bibliotheken vorhanden sein.”
Der Aufschluss – Zeitschrift für die Freunde der Mineralogie und Geologie

“Auf jeden Fall ermöglicht das Buch einen erfolgreichen Einstieg in eine diffizile und komplexe Materie.”
Gefahrenstoffe Reinhaltung der Luft

“Lehrbuch und Handbuch demonstrieren den Umfang heutiger Chemie-Information, die sich längst beträchtlich von der reinen Suche nach chemischen Informationen verabschiedet hat. Beide Werke sind nötig, um auf diesem komplexen und sich schnell weiterentwickelnden Gebiet den Überblick zu behalten. Eine chemisch orientierte Fachbibliothek sollte beide ihren Kunden anbieten.”
Auskunft – Zeitschrift für Bibliothek, Archiv und Information in Norddeutschland

From the Inside Flap

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.

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Chemoinformatics: A Textbook

Chemoinformatics: A Textbook

Book Description

Editorial Reviews

Review

From the Inside Flap

From the Back Cover

About the Author

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