Chemoinformatics

Gasteiger J., Engel T. (eds.)3-527-28896-1

This first work to be devoted entirely to this increasingly importantfield, the “Textbook” provides both an in-depth and comprehensiveoverview of this exciting new area. Edited by Johann Gasteiger andThomas Engel, the book provides an introduction to the representationof molecular structures and reactions, data types and databases/datasources, search methods, methods for data analysis as well as suchapplications as structure elucidation, reaction simulation, synthesisplanning and drug design. A hands-on approach with step-by-steptutorials and detailed descriptions of software tools and Internetresources allows easy access for newcomers, advanced users andlecturers alike. For a more detailed presentation, users are referredto the “Handbook of Chemoinformatics”, which will be publishedseparately. Johann Gasteiger is the recipient of the 1991Gmelin-Beilstein Medal of the German Chemical Society forAchievements in Computer Chemistry, and the Herman Skolnik Award ofthe Division of Chemical Information of the American Chemical Society(ACS) in 1997. Thomas Engel joined the research group headed byJohann Gasteiger at the University of Erlangen-Nuremberg and is aspecialist in chemoinformatics.