Dr. Thomas Engel - Faculty for Chemistry and Pharmacy

Books

  • Engel T., Gasteiger J. (Eds.),
    "Chemoinformatics - Basic Concepts and Methods"
    Wiley-VCH, Weinheim, 2018, 608pp, ISBN 978-3-527-33109-3.
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  • Engel T., Gasteiger J. (Eds.),
    "Applied Chemoinformatics - Achievements and Future Opportunities"
    Wiley-VCH, Weinheim, 2018, 648pp, ISBN 978-3-527-34201-3.
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  • Gasteiger J., Engel T. (Eds.),
    "Chemoinformatics - A Textbook"
    Wiley-VCH, Weinheim, 2003, 650pp, ISBN 3-527-30681-1.
  • T. Engel
    "Cheminformatics in Diverse Dimensions"
    in Drug Design Strategies: Computational Techniques and Applications, Lee Banting, Tim Clark, (Eds.), RCS Publishing: London UK, 2012, 164-183, ISBN: 978-1-84973-340-3
    DOI: 10.1039/9781849733403-00164
  • Th. Engel, E. Zass
    "Chemical Information Systems and Databases"
    in Comprehensive Medicinal Chemistry II, Volume 3: Drug Discovery Technologies, H. Kubinyi (Ed.), Elsevier: Oxford, 2007, 265-291.

Chemoinformatics - Basic Concepts and Methods (Vol. 1)

This essential guide to the knowledge and tools in the field of chemoinformatics includes everything from the basic concepts to modern methods, while also forming a bridge to bioinformatics.
The textbook offers a very clear and didactic structure, starting from the basics and the theory, before going on to provide an overview of the methods. Learning is now even easier thanks to brief exercises at the end of each chapter. Software tools are recommended, so that the students not only learn the necessary theoretical background, but also the different software packages available.
The book is aimed at Master and PhD students in chemistry, biochemistry and computer science, as well as providing an excellent introduction for other newcomers to the field.
Content >

Applied Chemoinformatics - Achievements and Future Opportunities (Vol. 2)

A clearly structured and applications-oriented approach to the topic, providing up-todate and focused information on the wide range of applications in this exciting field.
Methods and software tools are explained, such that the reader will not only learn the basics but also how to use the different software packages available. Experts describe applications in such different fields as structurespectra correlations, virtual screening, prediction of active sites, library design, the prediction of the properties of chemicals, the development of new cosmetics products, quality control in food, the design of new materials with improved properties, toxicity modeling, assessment of the risk of chemicals, and the control of chemical processes.
The book is aimed at advanced students as well as lecturers but also at scientists that want to learn how chemoinformatics could assist them in solving their daily scientific tasks.
Content >

Text and Handbook (2003)

From the basics to applications – this is the first text to provide both students and newcomers to this exciting field with the knowledge and tools needed. Practical tutorials lead readers step-by-step through the entire range of chemoinformatic tools. More >

Everything chemists and other scientists need to know about this developing field – from data to knowledge. The “Handbook of Chemoinformatics” comprising 2000 pages in four volumes is the first reference work to be exclusively devoted to this exciting area. It will set the standard as the premier information source for the next decade. More >