Chemoinformatics

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.

this Book Offers A Concise Introduction To One Of The Most Important Modern Analytical Methods. Accordingly, Its Emphasis Is On Practical Guidance. Discussion Of The Underlying Theory Is Restricted To The Bare Minimum.

it Gives Practical Instruction In The Operation Of Spectrometers, Sample Preparation And Measurement Techniques. Carefully Selected Examples Guide Readers In The Qualitative Interpretation Of Spectra And In The Application Of Computers, And Provide An Insight Into The Latest Developments In The Field. The Book Also Includes Sections On Quantitative Determination And Specialist Applications, Plus References To The More Advanced Literature. It Is Organized Such That Individual Chapters Can Be Studied Independently Of Each Other.

a Solid Introduction To Practical Ir Spectroscopy For Both Students And Practitioners.

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an Introduction To The Use Of Infrared (ir) Spectroscopy For Characterizing And Identifying A Substance. The Guide Outlines The Design Of Various Spectrometers, Methods For Sample Preparation And Measurement, And The Art Of Qualitatively Interpreting The Spectrum. Sample Spectrographs Of Individual Compound Classes Are Analyzed. Topics Include Standard Accessories, Calibration, Near-infrared Spectroscopy, And Raman Spectroscopy. Originally Published In German. Annotation C. Book News, Inc., Portland, Or (booknews.com)

This book offers a concise introduction to one of the most important modern analytical methods. Accordingly, its emphasis is on practical guidance. Discussion of the underlying theory is restricted to the bare minimum. It gives practical instruction in the operation of spectrometers, sample preparation and measurement techniques. Carefully selected examples guide readers in the qualitative interpretation of spectra and in the application of computers, and provide an insight into the latest developments in the field. The book also includes sections on quantitative determination and specialist applications, plus references to the more advanced literature. It is organized such that individual chapters can be studied independently of each other. A solid introduction to practical IR spectroscopy for both students and practitioners. This book offers a concise introduction to one of the most important modern analytical methods. Its emphasis is on practical guidance. Discussion of the underlying theory is restricted to the bare minimum and gives practical instruction in the operation of spectrometers, sample preparation and measurement techniques. Carefully selected examples guide readers in the qualitative interpretation of spectra and in the application of computers, and provide an insight into the latest developments in the field. The book also includes sections on quantitative determination and specialist applications, plus references to the more advanced literature. It is organized such that individual chapters can be studied independently of each other Within the framework of his studies on the energy distribution in the spectrum of light, Sir William Herschel [1] performed an experiment, which be fundamentally significant for the development of infrared spectroscopy: Sunlight, entering the laboratory and passing through a prism, fell onto the surface of a table and was divided up into its spectral colors. Offers an introduction to one of the most important modern analytical methods. This book gives practical instruction in the operation of spectrometers, sample preparation and measurement techniques.