Representations of Permutation Groups, Part 1 (Lecture Notes in Math)

Science & Math

Adalbert Kerber

Mathematics

Springer, Verlag

Representations of Permutation Groups II (Lecture Notes in Mathematics)

<ul>
<li>More than 20 years of experience in molecular structure generation, from conceptualization through to applications </li>
<li>Innovative, interdisciplinary text demonstrating example queries with software packages such as MOLGEN-online </li>
<li>Detailed explanations on establishing QSPRs and QSARs as well as structure elucidation using mass spectrometry and structure generation.</li>
</ul>
Aims and Scope This work provides an introduction to mathematical modeling of molecules and the resulting applications (structure generation, structure elucidation, QSAR/QSPR etc.). Most chemists have experimented with some software that represents molecules in an electronic form, and such models and applications are of increasing interest in diverse and growing fields such as drug discovery, environmental science and metabolomics. Furthermore, structure generation remains the only way to systematically create molecules that are not (yet) present in a database. This book starts with the mathematical theory behind representing molecules, explaining chemical concepts in mathematical terms and providing exercises that can be completed online. The later chapters cover applications of the theory, with detailed explanations on QSPR and QSAR investigations and finally structure elucidation combining mass spectrometry and structure generation. This book is aimed in particular at the users of structure generation methods and corresponding techniques, but also for those interested in teaching and learning mathematical chemistry, and for software designers in chemoinformatics.

Mathematical Chemistry and Chemoinformatics: Structure Generation, Elucidation and Quantitative Structure-Property Relationships

Reinhard Laue

Markus Meringer

Christoph Rücker

Emma Schymanski

Biological Sciences

de Gruyter

Algebraic combinatorics via finite group actions

B.I. Wissenschaftsverlag

Written by one of the top experts in the fields of combinatorics and representation theory, this book distinguishes itself from the existing literature by its applications-oriented point of view. The second edition is extended, placing more emphasis on applications to the constructive theory of finite structures. Recent progress in this field, in particular in design and coding theory, is described.

Applied Finite Group Actions (Algorithms and Combinatorics, 19)

Chemistry

Springer

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Books by Adalbert Kerber