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Tutorials in Chemoinformatics
Alexandre Varnek
ISBN: 978-1-119-13796-2 | Aug 2017 | 472PP
Chemistry
30 tutorials and more than 100 exercises in chemoinformatics, supported by
online software and data sets
Chemoinformatics is widely used in both academic and industrial chemical and
biochemical research worldwide. Yet, until this unique guide, there were no books
offering practical exercises in chemoinformatics methods. Tutorials in
Chemoinformatics contains more than 100 exercises in 30 tutorials exploring key
topics and methods in the field. It takes an applied approach to the subject with a
strong emphasis on problem-solving and computational methodologies. Each
tutorial is self-contained and contains exercises for students to work through
using a variety of software packages. The majority of the tutorials are divided into
three sections devoted to theoretical background, algorithm description and
software applications, respectively, with the latter section providing step-by-step
software instructions. Throughout, three types of software tools are used:
in-house programs developed by the authors, open-source programs and
commercial programs which are available for free or at a modest cost to
academics. The in-house software and data sets are available on a dedicated
companion website.
Tutorials in Chemoinformatics is an ideal supplementary text for advanced
undergraduate and graduate courses in chemoinformatics, bioinformatics,
computational chemistry, computational biology, medicinal chemistry and
biochemistry. It is also a valuable working resource for medicinal chemists,
academic researchers and industrial chemists looking to enhance their
chemoinformatics skills.
About the Editor
Alexandre Varnek, Faculty of Chimie, University of Strasbourg, France, is
Professor in Theoretical Chemistry at the University of Strasbourg. He is head
of the laboratory of Chemoinformatics, and Director of two MSc programs;
Chemoinformatics and In Silico Drug Design. In 2011–2014, he coordinated
the French National Network in Chemoinformatics. He has been teaching
chemoinformatics at the University of Strasbourg since 2002 and was an organizer
of four International Strasbourg Summer Schools in Chemoinformatics (2008–
2014). Professor Varnek's research interests focus on the development of new
approaches and tools for virtual screening and in silico design of new compounds
and chemical reactions.