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Название: Chemoinformatics
Авторы: Gasteiger J., Engel T. (eds.)
Аннотация:
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.