Overview

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.

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9783527306817

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Reviews

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

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

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 fur dieses spannende und sich rasant entwickelnde Fachgebiet der Chemie interessiert. Nachrichten aus der Chemie Erwahnung in: Laborpraxis 5/04 Was fehlt diesem Buch? Eigentlich nur bundesweit ein eigener Studiengang, denn es ist das passende Lehrbuch dazu. Fazit? Durchgangig bestatigt sich, dass das Buch fur einen heterogenen Leserkreis geeignet ist: Notwendige Grundlagen werden eingefuhrt, wesentliche Modelle mit Beispielen erklart 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 Kruger; Student Mathematik mit Nebenfach Bioinformatik, Universitat Frankfurt/Main Uni-Online ...es ist eine hervorragende Zusammenstellung der Moeglichkeiten, die es im chemischen Bereich der Datenanalyse gibt. Herbert Poellmann Abstract Technometrics, August 2004 Der Aufschluss Das umfasende Buch ist rundherum fur Fachleute zu empfehlen, es sollte in Bibliotheken vorhanden sein. Der Aufschluss - Zeitschrift fur die Freunde der Mineralogie und Geologie Auf jeden Fall ermoeglicht 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 langst betrachtlich von der reinen Suche nach chemischen Informationen verabschiedet hat. Beide Werke sind noetig, um auf diesem komplexen und sich schnell weiterentwickelnden Gebiet den UEberblick zu behalten. Eine chemisch orientierte Fachbibliothek sollte beide ihren Kunden anbieten. Auskunft - Zeitschrift fur Bibliothek, Archiv und Information in Norddeutschland

Author Information

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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