Mathematical Chemistry and Chemoinformatics

Structure Generation, Elucidation and Quantitative Structure-Property Relationships

Mathematical Chemistry and Chemoinformatics

Structure Generation, Elucidation and Quantitative Structure-Property Relationships

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This work provides an introduction to mathematical modeling of molecules and its applications (structure generation, elucidation, evaluation; QSAR/QSPR etc.).It contains exercises and explanations of software packages in chemoinformatics that can be used directly via an online login code. It is aimed at users of structure generation and corresponding methods, but also for teaching and learning chemoinformatics and for software designers.



A.Kerber, R.Laue, U. Bayreuth; M.Meringer, DLR Oberpfaffenhofen; C.Rücker, Leuphana U. Lüneburg; E.Schymanski, EAWAG Dübendorf

ISBN 9783110254075
Article number 9783110254075
Media type eBook - PDF
Copyright year 2014
Publisher Walter de Gruyter GmbH & Co.KG
Length 520 pages
Language English
Copy protection Digital watermarking